N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-3-phenylpyrazole-4-carboxamide

C25H24N4O — CID 90280333

IUPACN-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-3-phenylpyrazole-4-carboxamide
SMILESNCc1ccc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C25H24N4O/c26-15-19-11-13-20(14-12-19)16-27-25(30)23-18-29(17-21-7-3-1-4-8-21)28-24(23)22-9-5-2-6-10-22/h1-14,18H,15-17,26H2,(H,27,30)
InChIKeyWADOCDNXVIYFEL-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.99
Rot. Bonds7

About N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-3-phenylpyrazole-4-carboxamide

N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-3-phenylpyrazole-4-carboxamide (PubChem CID 90280333) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-3-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-3-phenylpyrazole-4-carboxamide
PubChem CID90280333
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-3-phenylpyrazole-4-carboxamide
SMILESNCc1ccc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C25H24N4O/c26-15-19-11-13-20(14-12-19)16-27-25(30)23-18-29(17-21-7-3-1-4-8-21)28-24(23)22-9-5-2-6-10-22/h1-14,18H,15-17,26H2,(H,27,30)
InChIKeyWADOCDNXVIYFEL-UHFFFAOYSA-N
XLogP3.99
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 27843936
1-benzyl-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-phenylpyrazole-4-carboxamide
CID 55637417
1-benzyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide
CID 9301580
1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide
CID 56827699
1-benzyl-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3-phenylpyrazole-4-carboxamide
CID 56535128
1-benzyl-3-(4-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 31446508
1-benzyl-3-phenyl-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]pyrazole-4-carboxamide
CID 96504113
N-(3-amino-2-methylpropyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119995333
1-benzyl-N,N-dimethyl-3-phenylpyrazole-4-carboxamide
CID 17423011
1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 51180334
1-benzyl-N-(2-hydroxypropyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 78803173
N-(2-amino-2-methylpropyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 119625953

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-3-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-3-phenylpyrazole-4-carboxamide (CID 90280333) is N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-3-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-3-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-3-phenylpyrazole-4-carboxamide is NCc1ccc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-3-phenylpyrazole-4-carboxamide?
The InChIKey is WADOCDNXVIYFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c26-15-19-11-13-20(14-12-19)16-27-25(30)23-18-29(17-21-7-3-1-4-8-21)28-24(23)22-9-5-2-6-10-22/h1-14,18H,15-17,26H2,(H,27,30).
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-3-phenylpyrazole-4-carboxamide?
N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-3-phenylpyrazole-4-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-3-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 90280333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).