N-(3-carbamoyl-1-methylpyrazol-4-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C11H11F3N6O2 — CID 4768238

IUPACN-(3-carbamoyl-1-methylpyrazol-4-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1cc(NC(=O)c2cc(C(F)(F)F)nn2C)c(C(N)=O)n1
InChIInChI=1S/C11H11F3N6O2/c1-19-4-5(8(18-19)9(15)21)16-10(22)6-3-7(11(12,13)14)17-20(6)2/h3-4H,1-2H3,(H2,15,21)(H,16,22)
InChIKeyMIFJBAXAGSJDRB-UHFFFAOYSA-N
MW316.24 g/mol
LogP0.52
Rot. Bonds3

About N-(3-carbamoyl-1-methylpyrazol-4-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-(3-carbamoyl-1-methylpyrazol-4-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 4768238) has the molecular formula C11H11F3N6O2 and a molecular weight of 316.24 g/mol. Its IUPAC name is N-(3-carbamoyl-1-methylpyrazol-4-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-1-methylpyrazol-4-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID4768238
Molecular FormulaC11H11F3N6O2
Molecular Weight316.24 g/mol
Exact Mass316.09
IUPAC NameN-(3-carbamoyl-1-methylpyrazol-4-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1cc(NC(=O)c2cc(C(F)(F)F)nn2C)c(C(N)=O)n1
InChIInChI=1S/C11H11F3N6O2/c1-19-4-5(8(18-19)9(15)21)16-10(22)6-3-7(11(12,13)14)17-20(6)2/h3-4H,1-2H3,(H2,15,21)(H,16,22)
InChIKeyMIFJBAXAGSJDRB-UHFFFAOYSA-N
XLogP0.52
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-3-carboxamide
CID 652342
N-(3-carbamoyl-1-ethylpyrazol-4-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 4772788
2-[(8S)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide
CID 162540442
N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4772979
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 17020976
N-[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 19398390
N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19575300
1-(2-aminoethyl)-N-{2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-1H-1,2,3-triazole-4-carboxamide
CID 70705811
1-methyl-5-(1H-pyrazol-1-ylcarbonyl)-3-(trifluoromethyl)-1H-pyrazole
CID 844640
2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 4773800
1-methyl-4-nitro-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 703689
(2-Ethyl-5-methylpyrazol-3-yl)-pyrazol-1-ylmethanone
CID 90186040

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-1-methylpyrazol-4-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-(3-carbamoyl-1-methylpyrazol-4-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 4768238) is N-(3-carbamoyl-1-methylpyrazol-4-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-1-methylpyrazol-4-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-(3-carbamoyl-1-methylpyrazol-4-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1cc(NC(=O)c2cc(C(F)(F)F)nn2C)c(C(N)=O)n1.
What is the InChIKey of N-(3-carbamoyl-1-methylpyrazol-4-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is MIFJBAXAGSJDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N6O2/c1-19-4-5(8(18-19)9(15)21)16-10(22)6-3-7(11(12,13)14)17-20(6)2/h3-4H,1-2H3,(H2,15,21)(H,16,22).
What are the key properties of N-(3-carbamoyl-1-methylpyrazol-4-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-(3-carbamoyl-1-methylpyrazol-4-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 316.24 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-1-methylpyrazol-4-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4768238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).