N,N-dibenzyl-3-phenyl-1H-pyrazole-5-carboxamide

C24H21N3O — CID 18870925

IUPACN,N-dibenzyl-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H21N3O/c28-24(23-16-22(25-26-23)21-14-8-3-9-15-21)27(17-19-10-4-1-5-11-19)18-20-12-6-2-7-13-20/h1-16H,17-18H2,(H,25,26)
InChIKeyMCCRNOWDJIKDLM-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.92
Rot. Bonds6

About N,N-dibenzyl-3-phenyl-1H-pyrazole-5-carboxamide

N,N-dibenzyl-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 18870925) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is N,N-dibenzyl-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN,N-dibenzyl-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID18870925
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC NameN,N-dibenzyl-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H21N3O/c28-24(23-16-22(25-26-23)21-14-8-3-9-15-21)27(17-19-10-4-1-5-11-19)18-20-12-6-2-7-13-20/h1-16H,17-18H2,(H,25,26)
InChIKeyMCCRNOWDJIKDLM-UHFFFAOYSA-N
XLogP4.92
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 110886500
N-benzyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 135881882
N-benzyl-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 51046454
methyl 2-[benzyl-[3-(3-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]acetate
CID 55992209
3-(4-bromophenyl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide
CID 86906625
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 79377189
bis(3-phenyl-1H-pyrazol-5-yl)methanone
CID 174669259
2-hydroxy-3-[2-[(4-phenylphenyl)methyl]-2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]propanoic acid
CID 174687565
N-(cyanomethyl)-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 166405265
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 39459167
2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 118877078
N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43392945

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N,N-dibenzyl-3-phenyl-1H-pyrazole-5-carboxamide (CID 18870925) is N,N-dibenzyl-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N,N-dibenzyl-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N,N-dibenzyl-3-phenyl-1H-pyrazole-5-carboxamide is O=C(c1cc(-c2ccccc2)n[nH]1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is MCCRNOWDJIKDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c28-24(23-16-22(25-26-23)21-14-8-3-9-15-21)27(17-19-10-4-1-5-11-19)18-20-12-6-2-7-13-20/h1-16H,17-18H2,(H,25,26).
What are the key properties of N,N-dibenzyl-3-phenyl-1H-pyrazole-5-carboxamide?
N,N-dibenzyl-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 18870925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).