5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

C16H18F3N5OS — CID 5193410

IUPAC5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1nc(NC(=O)c2cc3n(n2)C(C(F)(F)F)CC(C2CC2)N3)sc1C
InChIInChI=1S/C16H18F3N5OS/c1-7-8(2)26-15(20-7)22-14(25)11-6-13-21-10(9-3-4-9)5-12(16(17,18)19)24(13)23-11/h6,9-10,12,21H,3-5H2,1-2H3,(H,20,22,25)
InChIKeyNFLOZPSMCRZJCL-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.91
Rot. Bonds3

About 5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 5193410) has the molecular formula C16H18F3N5OS and a molecular weight of 385.42 g/mol. Its IUPAC name is 5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID5193410
Molecular FormulaC16H18F3N5OS
Molecular Weight385.42 g/mol
Exact Mass385.12
IUPAC Name5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1nc(NC(=O)c2cc3n(n2)C(C(F)(F)F)CC(C2CC2)N3)sc1C
InChIInChI=1S/C16H18F3N5OS/c1-7-8(2)26-15(20-7)22-14(25)11-6-13-21-10(9-3-4-9)5-12(16(17,18)19)24(13)23-11/h6,9-10,12,21H,3-5H2,1-2H3,(H,20,22,25)
InChIKeyNFLOZPSMCRZJCL-UHFFFAOYSA-N
XLogP3.91
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5S,7R)-5-cyclopropyl-N-(2,6-dimethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1429906
(5R,7R)-5-cyclopropyl-N-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1429902
(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-(3,5-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1429976
(5S,7S)-5-cyclopropyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 845440
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,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
(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
(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
(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-(2,6-dichlorophenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 136772317

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 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) is 5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1nc(NC(=O)c2cc3n(n2)C(C(F)(F)F)CC(C2CC2)N3)sc1C.
What is the InChIKey of 5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is NFLOZPSMCRZJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5OS/c1-7-8(2)26-15(20-7)22-14(25)11-6-13-21-10(9-3-4-9)5-12(16(17,18)19)24(13)23-11/h6,9-10,12,21H,3-5H2,1-2H3,(H,20,22,25).
What are the key properties of 5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 5193410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).