(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

C22H25F3N6O — CID 993868

IUPAC(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
SMILESCc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N(C)Cc4cn(C)nc4C)c3N2)cc1
InChIInChI=1S/C22H25F3N6O/c1-13-5-7-15(8-6-13)18-9-19(22(23,24)25)31-20(27-18)17(10-26-31)21(32)29(3)11-16-12-30(4)28-14(16)2/h5-8,10,12,18-19,27H,9,11H2,1-4H3/t18-,19-/m0/s1
InChIKeyKVKUHORDIPPNRA-OALUTQOASA-N
MW446.48 g/mol
LogP4.17
Rot. Bonds4

About (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

(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 (PubChem CID 993868) has the molecular formula C22H25F3N6O and a molecular weight of 446.48 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID993868
Molecular FormulaC22H25F3N6O
Molecular Weight446.48 g/mol
Exact Mass446.20
IUPAC Name(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
SMILESCc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N(C)Cc4cn(C)nc4C)c3N2)cc1
InChIInChI=1S/C22H25F3N6O/c1-13-5-7-15(8-6-13)18-9-19(22(23,24)25)31-20(27-18)17(10-26-31)21(32)29(3)11-16-12-30(4)28-14(16)2/h5-8,10,12,18-19,27H,9,11H2,1-4H3/t18-,19-/m0/s1
InChIKeyKVKUHORDIPPNRA-OALUTQOASA-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 (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 with MolForge

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Related Compounds

(5R,7S)-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 135726884
(5S,7R)-5-(3,4-dimethoxyphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 993762
(5S,7S)-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 993975
(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
(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
(5R,7R)-5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1368676
N-(furan-2-ylmethyl)-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 646398
ethyl 4-[(5S,7S)-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazine-1-carboxylate
CID 136853731
5-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4309298
(5S,7S)-N-(4-chlorophenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135935972
(5R,7R)-3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 993918
5-(4-bromophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2964186

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N(C)Cc4cn(C)nc4C)c3N2)cc1.
What is the InChIKey of (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?
The InChIKey is KVKUHORDIPPNRA-OALUTQOASA-N. The full InChI is InChI=1S/C22H25F3N6O/c1-13-5-7-15(8-6-13)18-9-19(22(23,24)25)31-20(27-18)17(10-26-31)21(32)29(3)11-16-12-30(4)28-14(16)2/h5-8,10,12,18-19,27H,9,11H2,1-4H3/t18-,19-/m0/s1.
What are the key properties of (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?
(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 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 (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 is sourced from PubChem (CID 993868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).