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

C22H18F4N6O2 — CID 1165951

IUPAC(5S,7S)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2
InChIInChI=1S/C22H18F4N6O2/c23-14-5-3-13(4-6-14)11-31-12-15(10-27-31)28-21(33)17-9-20-29-16(18-2-1-7-34-18)8-19(22(24,25)26)32(20)30-17/h1-7,9-10,12,16,19,29H,8,11H2,(H,28,33)/t16-,19-/m0/s1
InChIKeyDBKQGYFFAZMSJY-LPHOPBHVSA-N
MW474.42 g/mol
LogP4.77
Rot. Bonds5

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

(5S,7S)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1165951) has the molecular formula C22H18F4N6O2 and a molecular weight of 474.42 g/mol. Its IUPAC name is (5S,7S)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name(5S,7S)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1165951
Molecular FormulaC22H18F4N6O2
Molecular Weight474.42 g/mol
Exact Mass474.14
IUPAC Name(5S,7S)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2
InChIInChI=1S/C22H18F4N6O2/c23-14-5-3-13(4-6-14)11-31-12-15(10-27-31)28-21(33)17-9-20-29-16(18-2-1-7-34-18)8-19(22(24,25)26)32(20)30-17/h1-7,9-10,12,16,19,29H,8,11H2,(H,28,33)/t16-,19-/m0/s1
InChIKeyDBKQGYFFAZMSJY-LPHOPBHVSA-N
XLogP4.77
TPSA89.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.42
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (5S,7S)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-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

(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,7S)-5-(furan-2-yl)-N-pyridin-3-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1165738
(5S,7R)-5-(furan-2-yl)-N-(3-hydroxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1165719
N-[4-(diethylamino)phenyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3148245
5-(furan-2-yl)-N-(3-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3148236
(5R,7R)-5-(furan-2-yl)-N-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1165754
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-(furan-2-yl)-7-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1165791
(5S,7R)-N-(2,5-dimethylphenyl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1165713
(5S,7R)-5-(furan-2-yl)-N-(2-methoxyethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 135814189
(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

Frequently Asked Questions

What is the IUPAC name of (5S,7S)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of (5S,7S)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1165951) is (5S,7S)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for (5S,7S)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for (5S,7S)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2.
What is the InChIKey of (5S,7S)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is DBKQGYFFAZMSJY-LPHOPBHVSA-N. The full InChI is InChI=1S/C22H18F4N6O2/c23-14-5-3-13(4-6-14)11-31-12-15(10-27-31)28-21(33)17-9-20-29-16(18-2-1-7-34-18)8-19(22(24,25)26)32(20)30-17/h1-7,9-10,12,16,19,29H,8,11H2,(H,28,33)/t16-,19-/m0/s1.
What are the key properties of (5S,7S)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
(5S,7S)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 474.42 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7S)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1165951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).