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

C22H25F3N6O — CID 1013126

IUPAC(5R,7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N(C)Cc4cnn(C)c4C)cc3N2)cc1
InChIInChI=1S/C22H25F3N6O/c1-13-5-7-15(8-6-13)17-9-19(22(23,24)25)31-20(27-17)10-18(28-31)21(32)29(3)12-16-11-26-30(4)14(16)2/h5-8,10-11,17,19,27H,9,12H2,1-4H3/t17-,19-/m1/s1
InChIKeyIQUZNGKRSRVXBY-IEBWSBKVSA-N
MW446.48 g/mol
LogP4.17
Rot. Bonds4

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

(5R,7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1013126) has the molecular formula C22H25F3N6O and a molecular weight of 446.48 g/mol. Its IUPAC name is (5R,7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name(5R,7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1013126
Molecular FormulaC22H25F3N6O
Molecular Weight446.48 g/mol
Exact Mass446.20
IUPAC Name(5R,7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N(C)Cc4cnn(C)c4C)cc3N2)cc1
InChIInChI=1S/C22H25F3N6O/c1-13-5-7-15(8-6-13)17-9-19(22(23,24)25)31-20(27-17)10-18(28-31)21(32)29(3)12-16-11-26-30(4)14(16)2/h5-8,10-11,17,19,27H,9,12H2,1-4H3/t17-,19-/m1/s1
InChIKeyIQUZNGKRSRVXBY-IEBWSBKVSA-N
XLogP4.17
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5R,7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-5-(4-methylphenyl)-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,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,7S)-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 759699
(5R,7R)-5-(3,4-dimethoxyphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 136859020
(5S,7R)-5-(1,3-benzodioxol-5-yl)-N-benzyl-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 135894847
(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
(5S,7S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 993868
(5S,7R)-5-(4-chlorophenyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1258126
[(5S,7S)-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
CID 135682929
(5S,7R)-N,N-dibenzyl-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1012780
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3608014
(5R,7R)-5-(1,3-benzodioxol-5-yl)-N-(2-cyanoethyl)-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 135936031
(5R,7S)-5-(4-methylphenyl)-7-(trifluoromethyl)-N-(2,4,4-trimethylpentan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 136853361

Frequently Asked Questions

What is the IUPAC name of (5R,7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of (5R,7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1013126) is (5R,7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for (5R,7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for (5R,7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N(C)Cc4cnn(C)c4C)cc3N2)cc1.
What is the InChIKey of (5R,7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is IQUZNGKRSRVXBY-IEBWSBKVSA-N. The full InChI is InChI=1S/C22H25F3N6O/c1-13-5-7-15(8-6-13)17-9-19(22(23,24)25)31-20(27-17)10-18(28-31)21(32)29(3)12-16-11-26-30(4)14(16)2/h5-8,10-11,17,19,27H,9,12H2,1-4H3/t17-,19-/m1/s1.
What are the key properties of (5R,7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
(5R,7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 446.48 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1013126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).