(6S)-6-methyl-N-(1,1,1-trifluoropropan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide

C11H15F3N4O — CID 146590818

IUPAC(6S)-6-methyl-N-(1,1,1-trifluoropropan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCC(NC(=O)c1cnn2c1CN[C@@H](C)C2)C(F)(F)F
InChIInChI=1S/C11H15F3N4O/c1-6-5-18-9(4-15-6)8(3-16-18)10(19)17-7(2)11(12,13)14/h3,6-7,15H,4-5H2,1-2H3,(H,17,19)/t6-,7?/m0/s1
InChIKeyZFOQMIKFPIDIRQ-PKPIPKONSA-N
MW276.26 g/mol
LogP1.06
Rot. Bonds2

About (6S)-6-methyl-N-(1,1,1-trifluoropropan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide

(6S)-6-methyl-N-(1,1,1-trifluoropropan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 146590818) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is (6S)-6-methyl-N-(1,1,1-trifluoropropan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name(6S)-6-methyl-N-(1,1,1-trifluoropropan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID146590818
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name(6S)-6-methyl-N-(1,1,1-trifluoropropan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCC(NC(=O)c1cnn2c1CN[C@@H](C)C2)C(F)(F)F
InChIInChI=1S/C11H15F3N4O/c1-6-5-18-9(4-15-6)8(3-16-18)10(19)17-7(2)11(12,13)14/h3,6-7,15H,4-5H2,1-2H3,(H,17,19)/t6-,7?/m0/s1
InChIKeyZFOQMIKFPIDIRQ-PKPIPKONSA-N
XLogP1.06
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6S)-6-methyl-N-(1,1,1-trifluoropropan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-N-[3-[methyl(propan-2-yl)amino]propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51090894
N-[3-[methyl(propan-2-yl)amino]propyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 53560643
N-(4-amino-4-oxobutyl)-1-tert-butyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 56818095
N-[2-(cyclopropylamino)-2-oxoethyl]-3-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72879541
N-{1-[2-(cyclopropylamino)-2-oxoethyl]-4-piperidinyl}-3-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72881294
3-(aminomethyl)-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-one
CID 138991240
methyl 3-(methylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 134788380
5-acetyl-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 134789190
CID 134789952
CID 134789952
5-acetyl-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 134790046
methyl 3-(prop-2-enylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 134790634
CID 134790872
CID 134790872

Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-N-(1,1,1-trifluoropropan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of (6S)-6-methyl-N-(1,1,1-trifluoropropan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide (CID 146590818) is (6S)-6-methyl-N-(1,1,1-trifluoropropan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for (6S)-6-methyl-N-(1,1,1-trifluoropropan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for (6S)-6-methyl-N-(1,1,1-trifluoropropan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide is CC(NC(=O)c1cnn2c1CN[C@@H](C)C2)C(F)(F)F.
What is the InChIKey of (6S)-6-methyl-N-(1,1,1-trifluoropropan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is ZFOQMIKFPIDIRQ-PKPIPKONSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-6-5-18-9(4-15-6)8(3-16-18)10(19)17-7(2)11(12,13)14/h3,6-7,15H,4-5H2,1-2H3,(H,17,19)/t6-,7?/m0/s1.
What are the key properties of (6S)-6-methyl-N-(1,1,1-trifluoropropan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide?
(6S)-6-methyl-N-(1,1,1-trifluoropropan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 276.26 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-N-(1,1,1-trifluoropropan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 146590818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).