3-chloro-N-[(4-chlorophenyl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C19H11Cl2F3N4O2 — CID 1113773

IUPAC3-chloro-N-[(4-chlorophenyl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Cl
InChIInChI=1S/C19H11Cl2F3N4O2/c20-11-5-3-10(4-6-11)9-25-18(29)16-15(21)17-26-12(13-2-1-7-30-13)8-14(19(22,23)24)28(17)27-16/h1-8H,9H2,(H,25,29)
InChIKeyCQVKLGOEJRIMKH-UHFFFAOYSA-N
MW455.22 g/mol
LogP5.24
Rot. Bonds4

About 3-chloro-N-[(4-chlorophenyl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

3-chloro-N-[(4-chlorophenyl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1113773) has the molecular formula C19H11Cl2F3N4O2 and a molecular weight of 455.22 g/mol. Its IUPAC name is 3-chloro-N-[(4-chlorophenyl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(4-chlorophenyl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1113773
Molecular FormulaC19H11Cl2F3N4O2
Molecular Weight455.22 g/mol
Exact Mass454.02
IUPAC Name3-chloro-N-[(4-chlorophenyl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Cl
InChIInChI=1S/C19H11Cl2F3N4O2/c20-11-5-3-10(4-6-11)9-25-18(29)16-15(21)17-26-12(13-2-1-7-30-13)8-14(19(22,23)24)28(17)27-16/h1-8H,9H2,(H,25,29)
InChIKeyCQVKLGOEJRIMKH-UHFFFAOYSA-N
XLogP5.24
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.22
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Furanyl-[4-[5-(2-furanyl)-2-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]methanone
CID 44640177
1-[(3-Chlorophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 22015532
Mycro3
CID 1045147
Anguizole
CID 1046082
5-(2-Furyl)-2-[(4-phenyl-1-piperazinyl)carbonyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1102034
3,4-dihydroisoquinolin-2(1H)-yl[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 1164916
5-(2-furyl)-N-methyl-7-(trifluoromethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1223566
5-(Furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2056940
N-(4-chlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 653390
7-[chloro(difluoro)methyl]-N-(2,4-difluorophenyl)-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1045066
7-[chloro(difluoro)methyl]-N-(2,5-difluorophenyl)-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1045170
3-chloro-5-(2-furanyl)-N-propan-2-yl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide
CID 1068704

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-chlorophenyl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-chloro-N-[(4-chlorophenyl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1113773) is 3-chloro-N-[(4-chlorophenyl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(4-chlorophenyl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(4-chlorophenyl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCc1ccc(Cl)cc1)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Cl.
What is the InChIKey of 3-chloro-N-[(4-chlorophenyl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is CQVKLGOEJRIMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2F3N4O2/c20-11-5-3-10(4-6-11)9-25-18(29)16-15(21)17-26-12(13-2-1-7-30-13)8-14(19(22,23)24)28(17)27-16/h1-8H,9H2,(H,25,29).
What are the key properties of 3-chloro-N-[(4-chlorophenyl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-chloro-N-[(4-chlorophenyl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 455.22 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-chlorophenyl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1113773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).