(5S,7S)-N-cyclopropyl-7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C12H16F2N4O — CID 164633894

IUPAC(5S,7S)-N-cyclopropyl-7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC[C@H]1C[C@@H](C(F)F)n2ncc(C(=O)NC3CC3)c2N1
InChIInChI=1S/C12H16F2N4O/c1-6-4-9(10(13)14)18-11(16-6)8(5-15-18)12(19)17-7-2-3-7/h5-7,9-10,16H,2-4H2,1H3,(H,17,19)/t6-,9-/m0/s1
InChIKeyJIDGFXAFKNDORC-RCOVLWMOSA-N
MW270.28 g/mol
LogP1.79
Rot. Bonds3

About (5S,7S)-N-cyclopropyl-7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

(5S,7S)-N-cyclopropyl-7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 164633894) has the molecular formula C12H16F2N4O and a molecular weight of 270.28 g/mol. Its IUPAC name is (5S,7S)-N-cyclopropyl-7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name(5S,7S)-N-cyclopropyl-7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID164633894
Molecular FormulaC12H16F2N4O
Molecular Weight270.28 g/mol
Exact Mass270.13
IUPAC Name(5S,7S)-N-cyclopropyl-7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC[C@H]1C[C@@H](C(F)F)n2ncc(C(=O)NC3CC3)c2N1
InChIInChI=1S/C12H16F2N4O/c1-6-4-9(10(13)14)18-11(16-6)8(5-15-18)12(19)17-7-2-3-7/h5-7,9-10,16H,2-4H2,1H3,(H,17,19)/t6-,9-/m0/s1
InChIKeyJIDGFXAFKNDORC-RCOVLWMOSA-N
XLogP1.79
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S,7S)-N-cyclopropyl-7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of (5S,7S)-N-cyclopropyl-7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 164633894) is (5S,7S)-N-cyclopropyl-7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for (5S,7S)-N-cyclopropyl-7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for (5S,7S)-N-cyclopropyl-7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is C[C@H]1C[C@@H](C(F)F)n2ncc(C(=O)NC3CC3)c2N1.
What is the InChIKey of (5S,7S)-N-cyclopropyl-7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JIDGFXAFKNDORC-RCOVLWMOSA-N. The full InChI is InChI=1S/C12H16F2N4O/c1-6-4-9(10(13)14)18-11(16-6)8(5-15-18)12(19)17-7-2-3-7/h5-7,9-10,16H,2-4H2,1H3,(H,17,19)/t6-,9-/m0/s1.
What are the key properties of (5S,7S)-N-cyclopropyl-7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
(5S,7S)-N-cyclopropyl-7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 270.28 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7S)-N-cyclopropyl-7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 164633894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).