(5S,7R)-5-cyclopropyl-7-(trifluoromethyl)-N-[(2S)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

C20H27F3N6O — CID 135963787

IUPAC(5S,7R)-5-cyclopropyl-7-(trifluoromethyl)-N-[(2S)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1nn([C@@H](C)CNC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C2CC2)N3)c(C)c1C
InChIInChI=1S/C20H27F3N6O/c1-10(28-13(4)11(2)12(3)26-28)9-24-19(30)16-8-18-25-15(14-5-6-14)7-17(20(21,22)23)29(18)27-16/h8,10,14-15,17,25H,5-7,9H2,1-4H3,(H,24,30)/t10-,15-,17+/m0/s1
InChIKeyHXEWAIFYHXJAQZ-GLZQIGESSA-N
MW424.47 g/mol
LogP3.69
Rot. Bonds5

About (5S,7R)-5-cyclopropyl-7-(trifluoromethyl)-N-[(2S)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

(5S,7R)-5-cyclopropyl-7-(trifluoromethyl)-N-[(2S)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 135963787) has the molecular formula C20H27F3N6O and a molecular weight of 424.47 g/mol. Its IUPAC name is (5S,7R)-5-cyclopropyl-7-(trifluoromethyl)-N-[(2S)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name(5S,7R)-5-cyclopropyl-7-(trifluoromethyl)-N-[(2S)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID135963787
Molecular FormulaC20H27F3N6O
Molecular Weight424.47 g/mol
Exact Mass424.22
IUPAC Name(5S,7R)-5-cyclopropyl-7-(trifluoromethyl)-N-[(2S)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1nn([C@@H](C)CNC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C2CC2)N3)c(C)c1C
InChIInChI=1S/C20H27F3N6O/c1-10(28-13(4)11(2)12(3)26-28)9-24-19(30)16-8-18-25-15(14-5-6-14)7-17(20(21,22)23)29(18)27-16/h8,10,14-15,17,25H,5-7,9H2,1-4H3,(H,24,30)/t10-,15-,17+/m0/s1
InChIKeyHXEWAIFYHXJAQZ-GLZQIGESSA-N
XLogP3.69
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5S,7R)-5-cyclopropyl-7-(trifluoromethyl)-N-[(2S)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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Related Compounds

5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 5193410
(5S,7S)-5-cyclopropyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 845440
(5S,7R)-5-cyclopropyl-N-(3,5-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1429976
(5R,7S)-5-cyclopropyl-N-(3,5-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1429981
(5S,7R)-5-cyclopropyl-N-(2,6-dimethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1429906
(5R,7S)-5-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1079240
(5R,7R)-5-cyclopropyl-N-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1429902
(5S,7R)-5-cyclopropyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 135963389
(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
(5S,7S)-5-(3,4-dichlorophenyl)-N-(2-methylpropyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1013615
(5R,7R)-5-(4-bromophenyl)-N-(2-methylpropyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 994126
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

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-5-cyclopropyl-7-(trifluoromethyl)-N-[(2S)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of (5S,7R)-5-cyclopropyl-7-(trifluoromethyl)-N-[(2S)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 135963787) is (5S,7R)-5-cyclopropyl-7-(trifluoromethyl)-N-[(2S)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for (5S,7R)-5-cyclopropyl-7-(trifluoromethyl)-N-[(2S)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for (5S,7R)-5-cyclopropyl-7-(trifluoromethyl)-N-[(2S)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1nn([C@@H](C)CNC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C2CC2)N3)c(C)c1C.
What is the InChIKey of (5S,7R)-5-cyclopropyl-7-(trifluoromethyl)-N-[(2S)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is HXEWAIFYHXJAQZ-GLZQIGESSA-N. The full InChI is InChI=1S/C20H27F3N6O/c1-10(28-13(4)11(2)12(3)26-28)9-24-19(30)16-8-18-25-15(14-5-6-14)7-17(20(21,22)23)29(18)27-16/h8,10,14-15,17,25H,5-7,9H2,1-4H3,(H,24,30)/t10-,15-,17+/m0/s1.
What are the key properties of (5S,7R)-5-cyclopropyl-7-(trifluoromethyl)-N-[(2S)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
(5S,7R)-5-cyclopropyl-7-(trifluoromethyl)-N-[(2S)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 424.47 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-5-cyclopropyl-7-(trifluoromethyl)-N-[(2S)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 135963787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).