(5S,7R)-5-cyclopropyl-N-[(1R)-1-(4-methoxyphenyl)propyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

C21H25F3N4O2 — CID 135963552

IUPAC(5S,7R)-5-cyclopropyl-N-[(1R)-1-(4-methoxyphenyl)propyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC[C@@H](NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CC1)N2)c1ccc(OC)cc1
InChIInChI=1S/C21H25F3N4O2/c1-3-15(12-6-8-14(30-2)9-7-12)26-20(29)17-11-19-25-16(13-4-5-13)10-18(21(22,23)24)28(19)27-17/h6-9,11,13,15-16,18,25H,3-5,10H2,1-2H3,(H,26,29)/t15-,16+,18-/m1/s1
InChIKeyUUELWZKUAYNFFQ-SOLBZPMBSA-N
MW422.45 g/mol
LogP4.47
Rot. Bonds6

About (5S,7R)-5-cyclopropyl-N-[(1R)-1-(4-methoxyphenyl)propyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

(5S,7R)-5-cyclopropyl-N-[(1R)-1-(4-methoxyphenyl)propyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 135963552) has the molecular formula C21H25F3N4O2 and a molecular weight of 422.45 g/mol. Its IUPAC name is (5S,7R)-5-cyclopropyl-N-[(1R)-1-(4-methoxyphenyl)propyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name(5S,7R)-5-cyclopropyl-N-[(1R)-1-(4-methoxyphenyl)propyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID135963552
Molecular FormulaC21H25F3N4O2
Molecular Weight422.45 g/mol
Exact Mass422.19
IUPAC Name(5S,7R)-5-cyclopropyl-N-[(1R)-1-(4-methoxyphenyl)propyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC[C@@H](NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CC1)N2)c1ccc(OC)cc1
InChIInChI=1S/C21H25F3N4O2/c1-3-15(12-6-8-14(30-2)9-7-12)26-20(29)17-11-19-25-16(13-4-5-13)10-18(21(22,23)24)28(19)27-17/h6-9,11,13,15-16,18,25H,3-5,10H2,1-2H3,(H,26,29)/t15-,16+,18-/m1/s1
InChIKeyUUELWZKUAYNFFQ-SOLBZPMBSA-N
XLogP4.47
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5S,7R)-5-cyclopropyl-N-[(1R)-1-(4-methoxyphenyl)propyl]-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,7S)-5-cyclopropyl-N-(3,5-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1429981
5-(4-methoxyphenyl)-N-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3827987
5-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3133809
(5R,7R)-5-cyclopropyl-N-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1429902
(5S,7S)-N,5-bis(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 135878988
methyl 4-ethyl-2-[[(5R,7S)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-5-methylthiophene-3-carboxylate
CID 135879012
(5S,7R)-N-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1259045
(5S,7S)-N-cyclohexyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1127055
ethyl 2-[[(5R,7R)-5-cyclopropyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 136670395
(5S,7S)-5-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1126960
(5R,7R)-N-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 136726970
(5S,7R)-5-phenyl-N-[(1S)-1-phenylethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 136857118

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-5-cyclopropyl-N-[(1R)-1-(4-methoxyphenyl)propyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of (5S,7R)-5-cyclopropyl-N-[(1R)-1-(4-methoxyphenyl)propyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 135963552) is (5S,7R)-5-cyclopropyl-N-[(1R)-1-(4-methoxyphenyl)propyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for (5S,7R)-5-cyclopropyl-N-[(1R)-1-(4-methoxyphenyl)propyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for (5S,7R)-5-cyclopropyl-N-[(1R)-1-(4-methoxyphenyl)propyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is CC[C@@H](NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CC1)N2)c1ccc(OC)cc1.
What is the InChIKey of (5S,7R)-5-cyclopropyl-N-[(1R)-1-(4-methoxyphenyl)propyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is UUELWZKUAYNFFQ-SOLBZPMBSA-N. The full InChI is InChI=1S/C21H25F3N4O2/c1-3-15(12-6-8-14(30-2)9-7-12)26-20(29)17-11-19-25-16(13-4-5-13)10-18(21(22,23)24)28(19)27-17/h6-9,11,13,15-16,18,25H,3-5,10H2,1-2H3,(H,26,29)/t15-,16+,18-/m1/s1.
What are the key properties of (5S,7R)-5-cyclopropyl-N-[(1R)-1-(4-methoxyphenyl)propyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
(5S,7R)-5-cyclopropyl-N-[(1R)-1-(4-methoxyphenyl)propyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 422.45 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-5-cyclopropyl-N-[(1R)-1-(4-methoxyphenyl)propyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 135963552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).