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

C14H19F3N4O — CID 154845618

IUPAC(5S,7S)-N-cyclopropyl-N-ethyl-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(C(=O)c1cnn2c1N[C@@H](C)C[C@H]2C(F)(F)F)C1CC1
InChIInChI=1S/C14H19F3N4O/c1-3-20(9-4-5-9)13(22)10-7-18-21-11(14(15,16)17)6-8(2)19-12(10)21/h7-9,11,19H,3-6H2,1-2H3/t8-,11-/m0/s1
InChIKeyACIHRQBIOWAQCR-KWQFWETISA-N
MW316.33 g/mol
LogP2.82
Rot. Bonds3

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

(5S,7S)-N-cyclopropyl-N-ethyl-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 154845618) has the molecular formula C14H19F3N4O and a molecular weight of 316.33 g/mol. Its IUPAC name is (5S,7S)-N-cyclopropyl-N-ethyl-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name(5S,7S)-N-cyclopropyl-N-ethyl-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID154845618
Molecular FormulaC14H19F3N4O
Molecular Weight316.33 g/mol
Exact Mass316.15
IUPAC Name(5S,7S)-N-cyclopropyl-N-ethyl-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(C(=O)c1cnn2c1N[C@@H](C)C[C@H]2C(F)(F)F)C1CC1
InChIInChI=1S/C14H19F3N4O/c1-3-20(9-4-5-9)13(22)10-7-18-21-11(14(15,16)17)6-8(2)19-12(10)21/h7-9,11,19H,3-6H2,1-2H3/t8-,11-/m0/s1
InChIKeyACIHRQBIOWAQCR-KWQFWETISA-N
XLogP2.82
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S,7S)-N-cyclopropyl-N-ethyl-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of (5S,7S)-N-cyclopropyl-N-ethyl-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 154845618) is (5S,7S)-N-cyclopropyl-N-ethyl-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for (5S,7S)-N-cyclopropyl-N-ethyl-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for (5S,7S)-N-cyclopropyl-N-ethyl-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(C(=O)c1cnn2c1N[C@@H](C)C[C@H]2C(F)(F)F)C1CC1.
What is the InChIKey of (5S,7S)-N-cyclopropyl-N-ethyl-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ACIHRQBIOWAQCR-KWQFWETISA-N. The full InChI is InChI=1S/C14H19F3N4O/c1-3-20(9-4-5-9)13(22)10-7-18-21-11(14(15,16)17)6-8(2)19-12(10)21/h7-9,11,19H,3-6H2,1-2H3/t8-,11-/m0/s1.
What are the key properties of (5S,7S)-N-cyclopropyl-N-ethyl-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
(5S,7S)-N-cyclopropyl-N-ethyl-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 316.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7S)-N-cyclopropyl-N-ethyl-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 154845618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).