(5S,7R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H23F3N4O4 — CID 135935883

IUPAC(5S,7R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@@H]3C(F)(F)F)cc1OC
InChIInChI=1S/C22H23F3N4O4/c1-31-17-6-5-13(10-18(17)32-2)7-8-26-21(30)14-12-27-29-19(22(23,24)25)11-15(28-20(14)29)16-4-3-9-33-16/h3-6,9-10,12,15,19,28H,7-8,11H2,1-2H3,(H,26,30)/t15-,19+/m0/s1
InChIKeyYKRBKHVURJLQMD-HNAYVOBHSA-N
MW464.44 g/mol
LogP4.13
Rot. Bonds7

About (5S,7R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

(5S,7R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135935883) has the molecular formula C22H23F3N4O4 and a molecular weight of 464.44 g/mol. Its IUPAC name is (5S,7R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name(5S,7R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID135935883
Molecular FormulaC22H23F3N4O4
Molecular Weight464.44 g/mol
Exact Mass464.17
IUPAC Name(5S,7R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@@H]3C(F)(F)F)cc1OC
InChIInChI=1S/C22H23F3N4O4/c1-31-17-6-5-13(10-18(17)32-2)7-8-26-21(30)14-12-27-29-19(22(23,24)25)11-15(28-20(14)29)16-4-3-9-33-16/h3-6,9-10,12,15,19,28H,7-8,11H2,1-2H3,(H,26,30)/t15-,19+/m0/s1
InChIKeyYKRBKHVURJLQMD-HNAYVOBHSA-N
XLogP4.13
TPSA90.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.44
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (5S,7R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-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-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135935869
(5R,7R)-N-(2,5-dimethoxyphenyl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136786022
(5S,7S)-5-(furan-2-yl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135608624
(5R,7R)-N-tert-butyl-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136843491
(5S,7S)-5-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1013245
ethyl (5S,7S)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 135827678
(5S,7S)-5-(furan-2-yl)-N-(pyridin-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136762133
(5S,7S)-5-(furan-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135726044
(5R,7S)-5-(3-methoxyphenyl)-N-(2-phenylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1141112
5-(furan-2-yl)-N-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135619777
(5S,7S)-N-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1141019
(5R,7R)-5-(2-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135935721

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of (5S,7R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135935883) is (5S,7R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for (5S,7R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for (5S,7R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(CCNC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@@H]3C(F)(F)F)cc1OC.
What is the InChIKey of (5S,7R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YKRBKHVURJLQMD-HNAYVOBHSA-N. The full InChI is InChI=1S/C22H23F3N4O4/c1-31-17-6-5-13(10-18(17)32-2)7-8-26-21(30)14-12-27-29-19(22(23,24)25)11-15(28-20(14)29)16-4-3-9-33-16/h3-6,9-10,12,15,19,28H,7-8,11H2,1-2H3,(H,26,30)/t15-,19+/m0/s1.
What are the key properties of (5S,7R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
(5S,7R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 464.44 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135935883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).