N-[4-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide

C19H17FN4O2 — CID 38825065

IUPACN-[4-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H17FN4O2/c1-23(2)19(26)13-3-7-15(8-4-13)21-18(25)17-11-12-24(22-17)16-9-5-14(20)6-10-16/h3-12H,1-2H3,(H,21,25)
InChIKeyIKFPSXCYUMPUJV-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.97
Rot. Bonds4

About N-[4-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide

N-[4-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 38825065) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is N-[4-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
PubChem CID38825065
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC NameN-[4-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H17FN4O2/c1-23(2)19(26)13-3-7-15(8-4-13)21-18(25)17-11-12-24(22-17)16-9-5-14(20)6-10-16/h3-12H,1-2H3,(H,21,25)
InChIKeyIKFPSXCYUMPUJV-UHFFFAOYSA-N
XLogP2.97
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38764433
N-(2,3-dihydro-1H-inden-5-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38735899
N-[4-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 41191360
1-(4-acetylphenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 64781535
1-(4-fluorophenyl)-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 38815516
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38827016
N-(3-acetamidopropyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38047231
N-[2-(ethylamino)-2-oxoethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 55650471
1-(4-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride
CID 71087883
N-(3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38802898
4-[(4-fluorobenzoyl)carbamothioylamino]-N,N-dimethylbenzamide
CID 17231504
4-[[2-(4-fluorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 8698667

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[4-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide (CID 38825065) is N-[4-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[4-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide is CN(C)C(=O)c1ccc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-[4-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is IKFPSXCYUMPUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-23(2)19(26)13-3-7-15(8-4-13)21-18(25)17-11-12-24(22-17)16-9-5-14(20)6-10-16/h3-12H,1-2H3,(H,21,25).
What are the key properties of N-[4-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?
N-[4-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 352.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 38825065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).