1-(3-bromophenyl)cyclopropane-1-carboxamide;tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(3-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-[3-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium;1-[3-[2-tri(propan-2-yl)silylethynyl]phenyl]cyclopropane-1-carboxamide

C92H120BrClF6K8N14O6Si — CID 157197619

IUPAC1-(3-bromophenyl)cyclopropane-1-carboxamide;tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(3-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-[3-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium;1-[3-[2-tri(propan-2-yl)silylethynyl]phenyl]cyclopropane-1-carboxamide
SMILESC.C.C.C.C#Cc1cccc(C2(C(N)=O)CC2)c1.CC(C)(C)OC(=O)N1CCC(n2cc(Cc3ncc(C(F)(F)F)c(Cl)n3)cn2)CC1.CC(C)[Si](C#Cc1cccc(C2(C(N)=O)CC2)c1)(C(C)C)C(C)C.NC(=O)C1(c2cccc(Br)c2)CC1.NC(=O)C1(c2cccc(CCc3nc(Cc4cnn(C5CCNCC5)c4)ncc3C(F)(F)F)c2)CC1.[K][K].[K][K].[K][K].[K][K]
InChIInChI=1S/C26H29F3N6O.C21H31NOSi.C19H23ClF3N5O2.C12H11NO.C10H10BrNO.4CH4.8K/c27-26(28,29)21-15-32-23(13-18-14-33-35(16-18)20-6-10-31-11-7-20)34-22(21)5-4-17-2-1-3-19(12-17)25(8-9-25)24(30)36;1-15(2)24(16(3)4,17(5)6)13-10-18-8-7-9-19(14-18)21(11-12-21)20(22)23;1-18(2,3)30-17(29)27-6-4-13(5-7-27)28-11-12(9-25-28)8-15-24-10-14(16(20)26-15)19(21,22)23;1-2-9-4-3-5-10(8-9)12(6-7-12)11(13)14;11-8-3-1-2-7(6-8)10(4-5-10)9(12)13;;;;;;;;;;;;/h1-3,12,14-16,20,31H,4-11,13H2,(H2,30,36);7-9,14-17H,11-12H2,1-6H3,(H2,22,23);9-11,13H,4-8H2,1-3H3;1,3-5,8H,6-7H2,(H2,13,14);1-3,6H,4-5H2,(H2,12,13);4*1H4;;;;;;;;
InChIKeyAQKVHFRONIOTCA-UHFFFAOYSA-N
MW2088.28 g/mol
LogP15.44
Rot. Bonds20

About 1-(3-bromophenyl)cyclopropane-1-carboxamide;tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(3-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-[3-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium;1-[3-[2-tri(propan-2-yl)silylethynyl]phenyl]cyclopropane-1-carboxamide

1-(3-bromophenyl)cyclopropane-1-carboxamide;tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(3-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-[3-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium;1-[3-[2-tri(propan-2-yl)silylethynyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 157197619) has the molecular formula C92H120BrClF6K8N14O6Si and a molecular weight of 2088.28 g/mol. Its IUPAC name is 1-(3-bromophenyl)cyclopropane-1-carboxamide;tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(3-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-[3-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium;1-[3-[2-tri(propan-2-yl)silylethynyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)cyclopropane-1-carboxamide;tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(3-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-[3-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium;1-[3-[2-tri(propan-2-yl)silylethynyl]phenyl]cyclopropane-1-carboxamide
PubChem CID157197619
Molecular FormulaC92H120BrClF6K8N14O6Si
Molecular Weight2088.28 g/mol
Exact Mass2084.52
IUPAC Name1-(3-bromophenyl)cyclopropane-1-carboxamide;tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(3-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-[3-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium;1-[3-[2-tri(propan-2-yl)silylethynyl]phenyl]cyclopropane-1-carboxamide
SMILESC.C.C.C.C#Cc1cccc(C2(C(N)=O)CC2)c1.CC(C)(C)OC(=O)N1CCC(n2cc(Cc3ncc(C(F)(F)F)c(Cl)n3)cn2)CC1.CC(C)[Si](C#Cc1cccc(C2(C(N)=O)CC2)c1)(C(C)C)C(C)C.NC(=O)C1(c2cccc(Br)c2)CC1.NC(=O)C1(c2cccc(CCc3nc(Cc4cnn(C5CCNCC5)c4)ncc3C(F)(F)F)c2)CC1.[K][K].[K][K].[K][K].[K][K]
InChIInChI=1S/C26H29F3N6O.C21H31NOSi.C19H23ClF3N5O2.C12H11NO.C10H10BrNO.4CH4.8K/c27-26(28,29)21-15-32-23(13-18-14-33-35(16-18)20-6-10-31-11-7-20)34-22(21)5-4-17-2-1-3-19(12-17)25(8-9-25)24(30)36;1-15(2)24(16(3)4,17(5)6)13-10-18-8-7-9-19(14-18)21(11-12-21)20(22)23;1-18(2,3)30-17(29)27-6-4-13(5-7-27)28-11-12(9-25-28)8-15-24-10-14(16(20)26-15)19(21,22)23;1-2-9-4-3-5-10(8-9)12(6-7-12)11(13)14;11-8-3-1-2-7(6-8)10(4-5-10)9(12)13;;;;;;;;;;;;/h1-3,12,14-16,20,31H,4-11,13H2,(H2,30,36);7-9,14-17H,11-12H2,1-6H3,(H2,22,23);9-11,13H,4-8H2,1-3H3;1,3-5,8H,6-7H2,(H2,13,14);1-3,6H,4-5H2,(H2,12,13);4*1H4;;;;;;;;
InChIKeyAQKVHFRONIOTCA-UHFFFAOYSA-N
XLogP15.44
TPSA301.13 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002088.28
LogP ≤ 515.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-(3-bromophenyl)cyclopropane-1-carboxamide;tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(3-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-[3-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium;1-[3-[2-tri(propan-2-yl)silylethynyl]phenyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

Potassium;tert-butyl 4-[4-[[4-[2-[2-(1-amino-1-oxopropan-2-yl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[4-[2-[2-(1-amino-1-oxopropan-2-yl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;2-(2-ethynylphenyl)propanamide;hydride;methane;2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;potassiopotassium
CID 157102669
1-(3-Bromophenyl)cyclopropane-1-carboxamide;tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(3-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-[3-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium;1-[3-[2-tri(propan-2-yl)silylethynyl]phenyl]cyclopropane-1-carboxamide
CID 157747061
Tert-butyl 4-[4-[[4-[2-[2-(1-carbamoylcyclopropyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[4-[2-[2-(1-carbamoylcyclopropyl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium
CID 158587370
Tert-butyl 4-[4-[[4-[2-[2-(1-carbamoylcyclopropyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[4-[2-[2-(1-carbamoylcyclopropyl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium
CID 159580116

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)cyclopropane-1-carboxamide;tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(3-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-[3-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium;1-[3-[2-tri(propan-2-yl)silylethynyl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-bromophenyl)cyclopropane-1-carboxamide;tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(3-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-[3-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium;1-[3-[2-tri(propan-2-yl)silylethynyl]phenyl]cyclopropane-1-carboxamide (CID 157197619) is 1-(3-bromophenyl)cyclopropane-1-carboxamide;tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(3-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-[3-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium;1-[3-[2-tri(propan-2-yl)silylethynyl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)cyclopropane-1-carboxamide;tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(3-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-[3-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium;1-[3-[2-tri(propan-2-yl)silylethynyl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)cyclopropane-1-carboxamide;tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(3-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-[3-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium;1-[3-[2-tri(propan-2-yl)silylethynyl]phenyl]cyclopropane-1-carboxamide is C.C.C.C.C#Cc1cccc(C2(C(N)=O)CC2)c1.CC(C)(C)OC(=O)N1CCC(n2cc(Cc3ncc(C(F)(F)F)c(Cl)n3)cn2)CC1.CC(C)[Si](C#Cc1cccc(C2(C(N)=O)CC2)c1)(C(C)C)C(C)C.NC(=O)C1(c2cccc(Br)c2)CC1.NC(=O)C1(c2cccc(CCc3nc(Cc4cnn(C5CCNCC5)c4)ncc3C(F)(F)F)c2)CC1.[K][K].[K][K].[K][K].[K][K].
What is the InChIKey of 1-(3-bromophenyl)cyclopropane-1-carboxamide;tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(3-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-[3-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium;1-[3-[2-tri(propan-2-yl)silylethynyl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is AQKVHFRONIOTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N6O.C21H31NOSi.C19H23ClF3N5O2.C12H11NO.C10H10BrNO.4CH4.8K/c27-26(28,29)21-15-32-23(13-18-14-33-35(16-18)20-6-10-31-11-7-20)34-22(21)5-4-17-2-1-3-19(12-17)25(8-9-25)24(30)36;1-15(2)24(16(3)4,17(5)6)13-10-18-8-7-9-19(14-18)21(11-12-21)20(22)23;1-18(2,3)30-17(29)27-6-4-13(5-7-27)28-11-12(9-25-28)8-15-24-10-14(16(20)26-15)19(21,22)23;1-2-9-4-3-5-10(8-9)12(6-7-12)11(13)14;11-8-3-1-2-7(6-8)10(4-5-10)9(12)13;;;;;;;;;;;;/h1-3,12,14-16,20,31H,4-11,13H2,(H2,30,36);7-9,14-17H,11-12H2,1-6H3,(H2,22,23);9-11,13H,4-8H2,1-3H3;1,3-5,8H,6-7H2,(H2,13,14);1-3,6H,4-5H2,(H2,12,13);4*1H4;;;;;;;;.
What are the key properties of 1-(3-bromophenyl)cyclopropane-1-carboxamide;tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(3-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-[3-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium;1-[3-[2-tri(propan-2-yl)silylethynyl]phenyl]cyclopropane-1-carboxamide?
1-(3-bromophenyl)cyclopropane-1-carboxamide;tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(3-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-[3-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium;1-[3-[2-tri(propan-2-yl)silylethynyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 2088.28 g/mol, XLogP of 15.44, 20 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)cyclopropane-1-carboxamide;tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-(3-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-[3-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium;1-[3-[2-tri(propan-2-yl)silylethynyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 157197619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).