N-[(4-fluorophenyl)methyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide

C19H18FN3O — CID 36747874

IUPACN-[(4-fluorophenyl)methyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
SMILESCc1cccc(-n2ncc(C(=O)NCc3ccc(F)cc3)c2C)c1
InChIInChI=1S/C19H18FN3O/c1-13-4-3-5-17(10-13)23-14(2)18(12-22-23)19(24)21-11-15-6-8-16(20)9-7-15/h3-10,12H,11H2,1-2H3,(H,21,24)
InChIKeyCYIVKHICHUGKOC-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.56
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide

N-[(4-fluorophenyl)methyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide (PubChem CID 36747874) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
PubChem CID36747874
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC NameN-[(4-fluorophenyl)methyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
SMILESCc1cccc(-n2ncc(C(=O)NCc3ccc(F)cc3)c2C)c1
InChIInChI=1S/C19H18FN3O/c1-13-4-3-5-17(10-13)23-14(2)18(12-22-23)19(24)21-11-15-6-8-16(20)9-7-15/h3-10,12H,11H2,1-2H3,(H,21,24)
InChIKeyCYIVKHICHUGKOC-UHFFFAOYSA-N
XLogP3.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-(3-methylphenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide
CID 46456405
N-[(3-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 94048318
N-[(3-carbamoylphenyl)methyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 32637806
N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 36746441
1-(4-fluorophenyl)-5-methyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]pyrazole-4-carboxamide
CID 46414608
5-methyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 46139091
N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 3827367
1-(4-fluorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide
CID 46481236
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55512862
N-[[4-(butanoylamino)phenyl]methyl]-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 55781798
N-(3-butoxypropyl)-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 30767452
5-methyl-1-(3-methylphenyl)-N-(2-phenylbutyl)pyrazole-4-carboxamide
CID 46549741

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide (CID 36747874) is N-[(4-fluorophenyl)methyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide is Cc1cccc(-n2ncc(C(=O)NCc3ccc(F)cc3)c2C)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is CYIVKHICHUGKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-13-4-3-5-17(10-13)23-14(2)18(12-22-23)19(24)21-11-15-6-8-16(20)9-7-15/h3-10,12H,11H2,1-2H3,(H,21,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide?
N-[(4-fluorophenyl)methyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 36747874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).