(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

C19H22F3N5O — CID 135963389

IUPAC(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
SMILESC[C@@H](Cc1ccccn1)NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CC1)N2
InChIInChI=1S/C19H22F3N5O/c1-11(8-13-4-2-3-7-23-13)24-18(28)15-10-17-25-14(12-5-6-12)9-16(19(20,21)22)27(17)26-15/h2-4,7,10-12,14,16,25H,5-6,8-9H2,1H3,(H,24,28)/t11-,14-,16+/m0/s1
InChIKeyPRZUWLVHCMBWQS-HZUKXOBISA-N
MW393.41 g/mol
LogP3.34
Rot. Bonds5

About (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

(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 (PubChem CID 135963389) has the molecular formula C19H22F3N5O and a molecular weight of 393.41 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID135963389
Molecular FormulaC19H22F3N5O
Molecular Weight393.41 g/mol
Exact Mass393.18
IUPAC Name(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
SMILESC[C@@H](Cc1ccccn1)NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CC1)N2
InChIInChI=1S/C19H22F3N5O/c1-11(8-13-4-2-3-7-23-13)24-18(28)15-10-17-25-14(12-5-6-12)9-16(19(20,21)22)27(17)26-15/h2-4,7,10-12,14,16,25H,5-6,8-9H2,1H3,(H,24,28)/t11-,14-,16+/m0/s1
InChIKeyPRZUWLVHCMBWQS-HZUKXOBISA-N
XLogP3.34
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5R,7R)-5-ethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 135963578
(5S,7R)-5-cyclopropyl-N-(2,6-dimethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1429906
(5S,7S)-5-cyclopropyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 845440
5-phenyl-N-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2973842
(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
(5R,7R)-N-[(2R)-butan-2-yl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 135677944
(5R,7R)-5-(furan-2-yl)-N-[(2R)-1-methoxypropan-2-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 135814194
(5R,7S)-N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 136915679
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
(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
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-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@@H](Cc1ccccn1)NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CC1)N2.
What is the InChIKey of (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?
The InChIKey is PRZUWLVHCMBWQS-HZUKXOBISA-N. The full InChI is InChI=1S/C19H22F3N5O/c1-11(8-13-4-2-3-7-23-13)24-18(28)15-10-17-25-14(12-5-6-12)9-16(19(20,21)22)27(17)26-15/h2-4,7,10-12,14,16,25H,5-6,8-9H2,1H3,(H,24,28)/t11-,14-,16+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 393.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 135963389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).