4-chloro-2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-methylpyrazol-4-amine;1-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethynyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium

C78H79Cl3F12K6N20O3 — CID 158986494

IUPAC4-chloro-2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-methylpyrazol-4-amine;1-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethynyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium
SMILESC.C.C.C#Cc1ccccc1C1(C(N)=O)CC1.Cn1cc(Cc2ncc(C(F)(F)F)c(C#Cc3ccccc3C3(C(N)=O)CC3)n2)cn1.Cn1cc(Cc2ncc(C(F)(F)F)c(CCc3ccccc3C3(C(N)=O)CC3)n2)cn1.Cn1cc(Cc2ncc(C(F)(F)F)c(Cl)n2)cn1.Cn1cc(N)cn1.FC(F)(F)c1cnc(Cl)nc1Cl.[K][K].[K][K].[K][K]
InChIInChI=1S/C22H22F3N5O.C22H18F3N5O.C12H11NO.C10H8ClF3N4.C5HCl2F3N2.C4H7N3.3CH4.6K/c2*1-30-13-14(11-28-30)10-19-27-12-17(22(23,24)25)18(29-19)7-6-15-4-2-3-5-16(15)21(8-9-21)20(26)31;1-2-9-5-3-4-6-10(9)12(7-8-12)11(13)14;1-18-5-6(3-16-18)2-8-15-4-7(9(11)17-8)10(12,13)14;6-3-2(5(8,9)10)1-11-4(7)12-3;1-7-3-4(5)2-6-7;;;;;;;;;/h2-5,11-13H,6-10H2,1H3,(H2,26,31);2-5,11-13H,8-10H2,1H3,(H2,26,31);1,3-6H,7-8H2,(H2,13,14);3-5H,2H2,1H3;1H;2-3H,5H2,1H3;3*1H4;;;;;;
InChIKeyJPQCCDRUYSFOHC-UHFFFAOYSA-N
MW1913.55 g/mol
LogP11.94
Rot. Bonds15

About 4-chloro-2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-methylpyrazol-4-amine;1-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethynyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium

4-chloro-2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-methylpyrazol-4-amine;1-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethynyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium (PubChem CID 158986494) has the molecular formula C78H79Cl3F12K6N20O3 and a molecular weight of 1913.55 g/mol. Its IUPAC name is 4-chloro-2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-methylpyrazol-4-amine;1-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethynyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium.

Molecular Properties

Compound Name4-chloro-2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-methylpyrazol-4-amine;1-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethynyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium
PubChem CID158986494
Molecular FormulaC78H79Cl3F12K6N20O3
Molecular Weight1913.55 g/mol
Exact Mass1910.33
IUPAC Name4-chloro-2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-methylpyrazol-4-amine;1-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethynyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium
SMILESC.C.C.C#Cc1ccccc1C1(C(N)=O)CC1.Cn1cc(Cc2ncc(C(F)(F)F)c(C#Cc3ccccc3C3(C(N)=O)CC3)n2)cn1.Cn1cc(Cc2ncc(C(F)(F)F)c(CCc3ccccc3C3(C(N)=O)CC3)n2)cn1.Cn1cc(Cc2ncc(C(F)(F)F)c(Cl)n2)cn1.Cn1cc(N)cn1.FC(F)(F)c1cnc(Cl)nc1Cl.[K][K].[K][K].[K][K]
InChIInChI=1S/C22H22F3N5O.C22H18F3N5O.C12H11NO.C10H8ClF3N4.C5HCl2F3N2.C4H7N3.3CH4.6K/c2*1-30-13-14(11-28-30)10-19-27-12-17(22(23,24)25)18(29-19)7-6-15-4-2-3-5-16(15)21(8-9-21)20(26)31;1-2-9-5-3-4-6-10(9)12(7-8-12)11(13)14;1-18-5-6(3-16-18)2-8-15-4-7(9(11)17-8)10(12,13)14;6-3-2(5(8,9)10)1-11-4(7)12-3;1-7-3-4(5)2-6-7;;;;;;;;;/h2-5,11-13H,6-10H2,1H3,(H2,26,31);2-5,11-13H,8-10H2,1H3,(H2,26,31);1,3-6H,7-8H2,(H2,13,14);3-5H,2H2,1H3;1H;2-3H,5H2,1H3;3*1H4;;;;;;
InChIKeyJPQCCDRUYSFOHC-UHFFFAOYSA-N
XLogP11.94
TPSA329.69 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001913.55
LogP ≤ 511.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 4-chloro-2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-methylpyrazol-4-amine;1-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethynyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-methylpyrazol-4-amine;1-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethynyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium?
The IUPAC name of 4-chloro-2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-methylpyrazol-4-amine;1-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethynyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium (CID 158986494) is 4-chloro-2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-methylpyrazol-4-amine;1-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethynyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium.
What is the SMILES notation for 4-chloro-2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-methylpyrazol-4-amine;1-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethynyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium?
The canonical SMILES for 4-chloro-2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-methylpyrazol-4-amine;1-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethynyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium is C.C.C.C#Cc1ccccc1C1(C(N)=O)CC1.Cn1cc(Cc2ncc(C(F)(F)F)c(C#Cc3ccccc3C3(C(N)=O)CC3)n2)cn1.Cn1cc(Cc2ncc(C(F)(F)F)c(CCc3ccccc3C3(C(N)=O)CC3)n2)cn1.Cn1cc(Cc2ncc(C(F)(F)F)c(Cl)n2)cn1.Cn1cc(N)cn1.FC(F)(F)c1cnc(Cl)nc1Cl.[K][K].[K][K].[K][K].
What is the InChIKey of 4-chloro-2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-methylpyrazol-4-amine;1-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethynyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium?
The InChIKey is JPQCCDRUYSFOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O.C22H18F3N5O.C12H11NO.C10H8ClF3N4.C5HCl2F3N2.C4H7N3.3CH4.6K/c2*1-30-13-14(11-28-30)10-19-27-12-17(22(23,24)25)18(29-19)7-6-15-4-2-3-5-16(15)21(8-9-21)20(26)31;1-2-9-5-3-4-6-10(9)12(7-8-12)11(13)14;1-18-5-6(3-16-18)2-8-15-4-7(9(11)17-8)10(12,13)14;6-3-2(5(8,9)10)1-11-4(7)12-3;1-7-3-4(5)2-6-7;;;;;;;;;/h2-5,11-13H,6-10H2,1H3,(H2,26,31);2-5,11-13H,8-10H2,1H3,(H2,26,31);1,3-6H,7-8H2,(H2,13,14);3-5H,2H2,1H3;1H;2-3H,5H2,1H3;3*1H4;;;;;;.
What are the key properties of 4-chloro-2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-methylpyrazol-4-amine;1-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethynyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium?
4-chloro-2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-methylpyrazol-4-amine;1-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethynyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium has a molecular weight of 1913.55 g/mol, XLogP of 11.94, 15 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;1-methylpyrazol-4-amine;1-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[2-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethynyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium is sourced from PubChem (CID 158986494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).