(5S,7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

C18H19F3N6O2 — CID 1141526

IUPAC(5S,7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1c(CNC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccco2)N3)cnn1C
InChIInChI=1S/C18H19F3N6O2/c1-10-11(9-23-26(10)2)8-22-17(28)13-7-16-24-12(14-4-3-5-29-14)6-15(18(19,20)21)27(16)25-13/h3-5,7,9,12,15,24H,6,8H2,1-2H3,(H,22,28)/t12-,15+/m0/s1
InChIKeyHIAKPHWWWSXXND-SWLSCSKDSA-N
MW408.38 g/mol
LogP3.11
Rot. Bonds4

About (5S,7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

(5S,7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1141526) has the molecular formula C18H19F3N6O2 and a molecular weight of 408.38 g/mol. Its IUPAC name is (5S,7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name(5S,7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1141526
Molecular FormulaC18H19F3N6O2
Molecular Weight408.38 g/mol
Exact Mass408.15
IUPAC Name(5S,7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1c(CNC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccco2)N3)cnn1C
InChIInChI=1S/C18H19F3N6O2/c1-10-11(9-23-26(10)2)8-22-17(28)13-7-16-24-12(14-4-3-5-29-14)6-15(18(19,20)21)27(16)25-13/h3-5,7,9,12,15,24H,6,8H2,1-2H3,(H,22,28)/t12-,15+/m0/s1
InChIKeyHIAKPHWWWSXXND-SWLSCSKDSA-N
XLogP3.11
TPSA89.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (5S,7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(5S,7S)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1165873
5-(furan-2-yl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3133736
(5S,7R)-5-(1,3-benzodioxol-5-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1002666
(5S,7R)-5-(furan-2-yl)-N-(2-methoxyethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 135814189
N-butyl-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3148192
(5S,7S)-5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1165176
(5R,7R)-5-(furan-2-yl)-N-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 822214
(5R,7S)-N-(1-adamantylmethyl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 135890390
(5R,7R)-N-[(2R)-butan-2-yl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 135677944
(5S,7R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1165961
(5R,7R)-5-(furan-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1165926
(5S,7R)-5-(furan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1165814

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of (5S,7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1141526) is (5S,7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for (5S,7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for (5S,7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1c(CNC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccco2)N3)cnn1C.
What is the InChIKey of (5S,7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is HIAKPHWWWSXXND-SWLSCSKDSA-N. The full InChI is InChI=1S/C18H19F3N6O2/c1-10-11(9-23-26(10)2)8-22-17(28)13-7-16-24-12(14-4-3-5-29-14)6-15(18(19,20)21)27(16)25-13/h3-5,7,9,12,15,24H,6,8H2,1-2H3,(H,22,28)/t12-,15+/m0/s1.
What are the key properties of (5S,7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
(5S,7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 408.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1141526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).