5-(difluoromethyl)-N-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-3,4-dihydropyrazole-4-carboxamide

C19H27F2N3O — CID 70790470

IUPAC5-(difluoromethyl)-N-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-3,4-dihydropyrazole-4-carboxamide
SMILESCC(CC(C)(C)C)c1ccccc1NC(=O)C1CN(C)N=C1C(F)F
InChIInChI=1S/C19H27F2N3O/c1-12(10-19(2,3)4)13-8-6-7-9-15(13)22-18(25)14-11-24(5)23-16(14)17(20)21/h6-9,12,14,17H,10-11H2,1-5H3,(H,22,25)
InChIKeyCCWQZFHGCLCIAG-UHFFFAOYSA-N
MW351.44 g/mol
LogP4.35
Rot. Bonds5

About 5-(difluoromethyl)-N-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-3,4-dihydropyrazole-4-carboxamide

5-(difluoromethyl)-N-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-3,4-dihydropyrazole-4-carboxamide (PubChem CID 70790470) has the molecular formula C19H27F2N3O and a molecular weight of 351.44 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-3,4-dihydropyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-3,4-dihydropyrazole-4-carboxamide
PubChem CID70790470
Molecular FormulaC19H27F2N3O
Molecular Weight351.44 g/mol
Exact Mass351.21
IUPAC Name5-(difluoromethyl)-N-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-3,4-dihydropyrazole-4-carboxamide
SMILESCC(CC(C)(C)C)c1ccccc1NC(=O)C1CN(C)N=C1C(F)F
InChIInChI=1S/C19H27F2N3O/c1-12(10-19(2,3)4)13-8-6-7-9-15(13)22-18(25)14-11-24(5)23-16(14)17(20)21/h6-9,12,14,17H,10-11H2,1-5H3,(H,22,25)
InChIKeyCCWQZFHGCLCIAG-UHFFFAOYSA-N
XLogP4.35
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(difluoromethyl)-N-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-3,4-dihydropyrazole-4-carboxamide with MolForge

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Related Compounds

N-[11-(dichloromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-5-(difluoromethyl)-2-methyl-3,4-dihydropyrazole-4-carboxamide
CID 123203444
(5-fluoro-1,3-dimethylpyrazol-4-yl) N-[2-(4,4-dimethylpentan-2-yl)phenyl]carbamate
CID 122453561
N-[2-[(2S)-butan-2-yl]phenyl]cyclopropanecarboxamide
CID 9497565
(3S)-N-[2-[(2S)-butan-2-yl]phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365348
2,2-dimethyl-N-[2-[(2S)-tridecan-2-yl]phenyl]propanamide
CID 15274530
N-[2-[(1R,2S)-2-cyclopropylcyclopropyl]phenyl]-2,5-dimethyl-3,4-dihydropyrazole-4-carboxamide
CID 163504078
N-(2-butan-2-ylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152438
N-[2-[(2S)-butan-2-yl]phenyl]-3,3-dimethylbutanamide
CID 94840429
1-(2-methoxyethyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 171096968
1-(cyclopropylmethyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 171097073
(1S,6R)-6-[(2-propan-2-ylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
CID 6953281
tert-butyl N-[2-(1-aminopropan-2-yl)phenyl]carbamate
CID 84707260

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-3,4-dihydropyrazole-4-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-3,4-dihydropyrazole-4-carboxamide (CID 70790470) is 5-(difluoromethyl)-N-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-3,4-dihydropyrazole-4-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-3,4-dihydropyrazole-4-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-3,4-dihydropyrazole-4-carboxamide is CC(CC(C)(C)C)c1ccccc1NC(=O)C1CN(C)N=C1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-N-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-3,4-dihydropyrazole-4-carboxamide?
The InChIKey is CCWQZFHGCLCIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2N3O/c1-12(10-19(2,3)4)13-8-6-7-9-15(13)22-18(25)14-11-24(5)23-16(14)17(20)21/h6-9,12,14,17H,10-11H2,1-5H3,(H,22,25).
What are the key properties of 5-(difluoromethyl)-N-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-3,4-dihydropyrazole-4-carboxamide?
5-(difluoromethyl)-N-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-3,4-dihydropyrazole-4-carboxamide has a molecular weight of 351.44 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-3,4-dihydropyrazole-4-carboxamide is sourced from PubChem (CID 70790470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).