N-[2-[(dimethylamino)methyl]phenyl]-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide

C26H25FN4O — CID 38438530

IUPACN-[2-[(dimethylamino)methyl]phenyl]-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2ccccc2CN(C)C)cc1
InChIInChI=1S/C26H25FN4O/c1-18-8-10-19(11-9-18)25-23(17-31(29-25)22-14-12-21(27)13-15-22)26(32)28-24-7-5-4-6-20(24)16-30(2)3/h4-15,17H,16H2,1-3H3,(H,28,32)
InChIKeyNLJAUPCTQPHBJX-UHFFFAOYSA-N
MW428.51 g/mol
LogP5.30
Rot. Bonds6

About N-[2-[(dimethylamino)methyl]phenyl]-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide

N-[2-[(dimethylamino)methyl]phenyl]-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide (PubChem CID 38438530) has the molecular formula C26H25FN4O and a molecular weight of 428.51 g/mol. Its IUPAC name is N-[2-[(dimethylamino)methyl]phenyl]-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(dimethylamino)methyl]phenyl]-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
PubChem CID38438530
Molecular FormulaC26H25FN4O
Molecular Weight428.51 g/mol
Exact Mass428.20
IUPAC NameN-[2-[(dimethylamino)methyl]phenyl]-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2ccccc2CN(C)C)cc1
InChIInChI=1S/C26H25FN4O/c1-18-8-10-19(11-9-18)25-23(17-31(29-25)22-14-12-21(27)13-15-22)26(32)28-24-7-5-4-6-20(24)16-30(2)3/h4-15,17H,16H2,1-3H3,(H,28,32)
InChIKeyNLJAUPCTQPHBJX-UHFFFAOYSA-N
XLogP5.30
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.51
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-N',N'-dimethyl-1-phenylpyrazole-4-carbohydrazide
CID 9163796
N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 26734824
1-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18226016
N-(5-fluoro-2-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 7777734
methyl 2-[[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate
CID 27682175
3-(4-fluorophenyl)-N-(2-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 4114034
N'-(2,5-dimethylfuran-3-carbonyl)-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carbohydrazide
CID 26247367
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 31858323
N-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 26881990
N-(2,5-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 19281305
[2-(dimethylamino)-2-oxoethyl] 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate
CID 7726915
N-(4-acetamidophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9110013

Frequently Asked Questions

What is the IUPAC name of N-[2-[(dimethylamino)methyl]phenyl]-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-[2-[(dimethylamino)methyl]phenyl]-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide (CID 38438530) is N-[2-[(dimethylamino)methyl]phenyl]-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-[(dimethylamino)methyl]phenyl]-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[2-[(dimethylamino)methyl]phenyl]-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide is Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2ccccc2CN(C)C)cc1.
What is the InChIKey of N-[2-[(dimethylamino)methyl]phenyl]-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is NLJAUPCTQPHBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O/c1-18-8-10-19(11-9-18)25-23(17-31(29-25)22-14-12-21(27)13-15-22)26(32)28-24-7-5-4-6-20(24)16-30(2)3/h4-15,17H,16H2,1-3H3,(H,28,32).
What are the key properties of N-[2-[(dimethylamino)methyl]phenyl]-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide?
N-[2-[(dimethylamino)methyl]phenyl]-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(dimethylamino)methyl]phenyl]-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 38438530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).