[6-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]carbamic acid

C15H13F3N4O3 — CID 174204351

IUPAC[6-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]carbamic acid
SMILESCC1Cn2ncc(NC(=O)O)c2C(=O)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F3N4O3/c1-8-7-21-12(11(6-19-21)20-14(24)25)13(23)22(8)10-4-2-9(3-5-10)15(16,17)18/h2-6,8,20H,7H2,1H3,(H,24,25)
InChIKeyNSRCCRUTSDAGDV-UHFFFAOYSA-N
MW354.29 g/mol
LogP3.04
Rot. Bonds2

About [6-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]carbamic acid

[6-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]carbamic acid (PubChem CID 174204351) has the molecular formula C15H13F3N4O3 and a molecular weight of 354.29 g/mol. Its IUPAC name is [6-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]carbamic acid.

Molecular Properties

Compound Name[6-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]carbamic acid
PubChem CID174204351
Molecular FormulaC15H13F3N4O3
Molecular Weight354.29 g/mol
Exact Mass354.09
IUPAC Name[6-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]carbamic acid
SMILESCC1Cn2ncc(NC(=O)O)c2C(=O)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F3N4O3/c1-8-7-21-12(11(6-19-21)20-14(24)25)13(23)22(8)10-4-2-9(3-5-10)15(16,17)18/h2-6,8,20H,7H2,1H3,(H,24,25)
InChIKeyNSRCCRUTSDAGDV-UHFFFAOYSA-N
XLogP3.04
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [6-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]carbamic acid 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

3-cyano-4-methoxy-N-[(6S)-6-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
CID 170712755
3-amino-5-[4-[difluoro(phenyl)methyl]phenyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 170713296
4-methyl-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
CID 118693704
N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
CID 118693863
3-cyano-4-methoxy-N-[6-methyl-4-oxo-5-[4-(2,2,2-trifluoroethoxymethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
CID 174202647
3-cyano-N-[5-[4-[difluoro-(2-methoxyphenyl)methyl]phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-4-methoxybenzamide
CID 174162883
3-cyano-N-[(6S)-5-[4-[difluoro(phenyl)methyl]phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-4-[2-(methylamino)ethoxy]benzamide
CID 170713102
3-cyano-N-[6-methyl-4-oxo-5-[4-(2,2,2-trifluoroethylamino)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
CID 174207848
tert-butyl N-[(6S)-5-[4-(3-methoxybenzoyl)phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]carbamate
CID 170713653
ethyl (6S)-6-methyl-4-oxo-5-[4-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate
CID 170713183
3-cyano-4-methoxy-N-[6-methyl-4-oxo-5-[4-(3,3,3-trifluoropropoxymethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
CID 174163057
N-(4-bromo-3-cyanophenyl)-5-[4-[difluoro(phenyl)methyl]phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 174163045

Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]carbamic acid?
The IUPAC name of [6-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]carbamic acid (CID 174204351) is [6-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]carbamic acid.
What is the SMILES notation for [6-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]carbamic acid?
The canonical SMILES for [6-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]carbamic acid is CC1Cn2ncc(NC(=O)O)c2C(=O)N1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [6-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]carbamic acid?
The InChIKey is NSRCCRUTSDAGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O3/c1-8-7-21-12(11(6-19-21)20-14(24)25)13(23)22(8)10-4-2-9(3-5-10)15(16,17)18/h2-6,8,20H,7H2,1H3,(H,24,25).
What are the key properties of [6-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]carbamic acid?
[6-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]carbamic acid has a molecular weight of 354.29 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]carbamic acid is sourced from PubChem (CID 174204351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).