N,1-dibenzyl-5-ethyl-N-methylpyrazole-4-carboxamide

C21H23N3O — CID 78874071

IUPACN,1-dibenzyl-5-ethyl-N-methylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)N(C)Cc2ccccc2)cnn1Cc1ccccc1
InChIInChI=1S/C21H23N3O/c1-3-20-19(14-22-24(20)16-18-12-8-5-9-13-18)21(25)23(2)15-17-10-6-4-7-11-17/h4-14H,3,15-16H2,1-2H3
InChIKeyMDKZERPWRYNWJK-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.77
Rot. Bonds6

About N,1-dibenzyl-5-ethyl-N-methylpyrazole-4-carboxamide

N,1-dibenzyl-5-ethyl-N-methylpyrazole-4-carboxamide (PubChem CID 78874071) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N,1-dibenzyl-5-ethyl-N-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN,1-dibenzyl-5-ethyl-N-methylpyrazole-4-carboxamide
PubChem CID78874071
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN,1-dibenzyl-5-ethyl-N-methylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)N(C)Cc2ccccc2)cnn1Cc1ccccc1
InChIInChI=1S/C21H23N3O/c1-3-20-19(14-22-24(20)16-18-12-8-5-9-13-18)21(25)23(2)15-17-10-6-4-7-11-17/h4-14H,3,15-16H2,1-2H3
InChIKeyMDKZERPWRYNWJK-UHFFFAOYSA-N
XLogP3.77
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-5-ethyl-N-methyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 78872749
N-(3-amino-4-methylpentyl)-1-benzyl-5-ethyl-N-methylpyrazole-4-carboxamide;hydrochloride
CID 119659628
2-[(1-benzyl-5-ethylpyrazole-4-carbonyl)-ethylamino]acetic acid
CID 120519737
1-benzyl-N-[2-(3-chloroanilino)-2-oxoethyl]-5-ethyl-N-methylpyrazole-4-carboxamide
CID 78873289
1-benzyl-5-ethyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 78873764
2-[(1-benzyl-5-methylpyrazole-4-carbonyl)-methylamino]acetic acid
CID 119171995
(1-benzyl-5-ethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
CID 78874147
1-benzyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-5-ethylpyrazole-4-carboxamide
CID 78873511
3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]butanoic acid
CID 119347896
(1-benzyl-5-ethylpyrazol-4-yl)-piperazin-1-ylmethanone
CID 119402258
1-benzyl-5-ethyl-N-(1-hydroxypropan-2-yl)pyrazole-4-carboxamide
CID 110890160
2-benzyl-3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525129

Frequently Asked Questions

What is the IUPAC name of N,1-dibenzyl-5-ethyl-N-methylpyrazole-4-carboxamide?
The IUPAC name of N,1-dibenzyl-5-ethyl-N-methylpyrazole-4-carboxamide (CID 78874071) is N,1-dibenzyl-5-ethyl-N-methylpyrazole-4-carboxamide.
What is the SMILES notation for N,1-dibenzyl-5-ethyl-N-methylpyrazole-4-carboxamide?
The canonical SMILES for N,1-dibenzyl-5-ethyl-N-methylpyrazole-4-carboxamide is CCc1c(C(=O)N(C)Cc2ccccc2)cnn1Cc1ccccc1.
What is the InChIKey of N,1-dibenzyl-5-ethyl-N-methylpyrazole-4-carboxamide?
The InChIKey is MDKZERPWRYNWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-3-20-19(14-22-24(20)16-18-12-8-5-9-13-18)21(25)23(2)15-17-10-6-4-7-11-17/h4-14H,3,15-16H2,1-2H3.
What are the key properties of N,1-dibenzyl-5-ethyl-N-methylpyrazole-4-carboxamide?
N,1-dibenzyl-5-ethyl-N-methylpyrazole-4-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dibenzyl-5-ethyl-N-methylpyrazole-4-carboxamide is sourced from PubChem (CID 78874071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).