N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide

C25H23N3O2 — CID 27843936

IUPACN,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C25H23N3O2/c1-30-22-14-12-21(13-15-22)24-23(25(29)26-16-19-8-4-2-5-9-19)18-28(27-24)17-20-10-6-3-7-11-20/h2-15,18H,16-17H2,1H3,(H,26,29)
InChIKeyIKKWOQXPYPXAGW-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.54
Rot. Bonds7

About N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide

N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide (PubChem CID 27843936) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
PubChem CID27843936
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C25H23N3O2/c1-30-22-14-12-21(13-15-22)24-23(25(29)26-16-19-8-4-2-5-9-19)18-28(27-24)17-20-10-6-3-7-11-20/h2-15,18H,16-17H2,1H3,(H,26,29)
InChIKeyIKKWOQXPYPXAGW-UHFFFAOYSA-N
XLogP4.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-(4-methoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 42034029
N-(2-amino-2-methylpropyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 119625953
1-benzyl-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 9208106
ethyl N-[2-[[1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carbonyl]amino]ethyl]carbamate
CID 56557916
1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 86974156
N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-3-phenylpyrazole-4-carboxamide
CID 90280333
1-benzyl-3-(4-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 31446508
1-benzyl-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-phenylpyrazole-4-carboxamide
CID 40815406
1-benzyl-3-(4-methoxyphenyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)pyrazole-4-carboxamide
CID 24676684
1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide
CID 56827699
1-benzyl-N-[4-(diethylcarbamoyl)phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 30997182
1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 51180334

Frequently Asked Questions

What is the IUPAC name of N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide?
The IUPAC name of N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide (CID 27843936) is N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide is COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide?
The InChIKey is IKKWOQXPYPXAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-30-22-14-12-21(13-15-22)24-23(25(29)26-16-19-8-4-2-5-9-19)18-28(27-24)17-20-10-6-3-7-11-20/h2-15,18H,16-17H2,1H3,(H,26,29).
What are the key properties of N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide?
N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 27843936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).