5-(difluoromethyl)-1-methyl-N-(3-oxo-1,2-dihydroisoindol-4-yl)pyrazole-4-carboxamide

C14H12F2N4O2 — CID 75445066

IUPAC5-(difluoromethyl)-1-methyl-N-(3-oxo-1,2-dihydroisoindol-4-yl)pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2cccc3c2C(=O)NC3)c1C(F)F
InChIInChI=1S/C14H12F2N4O2/c1-20-11(12(15)16)8(6-18-20)13(21)19-9-4-2-3-7-5-17-14(22)10(7)9/h2-4,6,12H,5H2,1H3,(H,17,22)(H,19,21)
InChIKeyKLCNATLRYHCQAR-UHFFFAOYSA-N
MW306.27 g/mol
LogP1.85
Rot. Bonds3

About 5-(difluoromethyl)-1-methyl-N-(3-oxo-1,2-dihydroisoindol-4-yl)pyrazole-4-carboxamide

5-(difluoromethyl)-1-methyl-N-(3-oxo-1,2-dihydroisoindol-4-yl)pyrazole-4-carboxamide (PubChem CID 75445066) has the molecular formula C14H12F2N4O2 and a molecular weight of 306.27 g/mol. Its IUPAC name is 5-(difluoromethyl)-1-methyl-N-(3-oxo-1,2-dihydroisoindol-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-1-methyl-N-(3-oxo-1,2-dihydroisoindol-4-yl)pyrazole-4-carboxamide
PubChem CID75445066
Molecular FormulaC14H12F2N4O2
Molecular Weight306.27 g/mol
Exact Mass306.09
IUPAC Name5-(difluoromethyl)-1-methyl-N-(3-oxo-1,2-dihydroisoindol-4-yl)pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2cccc3c2C(=O)NC3)c1C(F)F
InChIInChI=1S/C14H12F2N4O2/c1-20-11(12(15)16)8(6-18-20)13(21)19-9-4-2-3-7-5-17-14(22)10(7)9/h2-4,6,12H,5H2,1H3,(H,17,22)(H,19,21)
InChIKeyKLCNATLRYHCQAR-UHFFFAOYSA-N
XLogP1.85
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-cyclopropylcyclopropyl)phenyl]-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 59685873
1-N,4-N-bis[5-(difluoromethyl)-1-methylpyrazol-4-yl]benzene-1,4-dicarboxamide
CID 166188378
N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(methylamino)pyridine-3-carboxamide
CID 138016934
3-[4-[[5-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]phenyl]prop-2-enoic acid
CID 91943295
N-(3-oxo-1,2-dihydroisoindol-4-yl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 99578371
5-(difluoromethyl)-N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-1-methylpyrazole-4-carboxamide
CID 166752375
N-(3,4-dihydro-2H-chromen-8-yl)-1-methyl-5-phenylpyrazole-4-carboxamide
CID 167848351
1-methyl-4-[[2-(trifluoromethyl)phenyl]carbamoyl]pyrazole-5-carboxylic acid
CID 19496083
N-(3-chlorophenyl)-1-methyl-5-propan-2-ylpyrazole-4-carboxamide
CID 123777570
N-[6-(difluoromethyl)-3-oxo-1,2-dihydroisoindol-5-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 170023573
5-fluoro-1-methyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide
CID 141244949
5-(1-fluoroethyl)-1-methylpyrazole-4-carboxamide
CID 70193697

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1-methyl-N-(3-oxo-1,2-dihydroisoindol-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-(difluoromethyl)-1-methyl-N-(3-oxo-1,2-dihydroisoindol-4-yl)pyrazole-4-carboxamide (CID 75445066) is 5-(difluoromethyl)-1-methyl-N-(3-oxo-1,2-dihydroisoindol-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-1-methyl-N-(3-oxo-1,2-dihydroisoindol-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-1-methyl-N-(3-oxo-1,2-dihydroisoindol-4-yl)pyrazole-4-carboxamide is Cn1ncc(C(=O)Nc2cccc3c2C(=O)NC3)c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-1-methyl-N-(3-oxo-1,2-dihydroisoindol-4-yl)pyrazole-4-carboxamide?
The InChIKey is KLCNATLRYHCQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N4O2/c1-20-11(12(15)16)8(6-18-20)13(21)19-9-4-2-3-7-5-17-14(22)10(7)9/h2-4,6,12H,5H2,1H3,(H,17,22)(H,19,21).
What are the key properties of 5-(difluoromethyl)-1-methyl-N-(3-oxo-1,2-dihydroisoindol-4-yl)pyrazole-4-carboxamide?
5-(difluoromethyl)-1-methyl-N-(3-oxo-1,2-dihydroisoindol-4-yl)pyrazole-4-carboxamide has a molecular weight of 306.27 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1-methyl-N-(3-oxo-1,2-dihydroisoindol-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 75445066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).