1-benzyl-5-ethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide

C22H24N4O2 — CID 78873630

IUPAC1-benzyl-5-ethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2cccc(C(=O)NC)c2C)cnn1Cc1ccccc1
InChIInChI=1S/C22H24N4O2/c1-4-20-18(13-24-26(20)14-16-9-6-5-7-10-16)22(28)25-19-12-8-11-17(15(19)2)21(27)23-3/h5-13H,4,14H2,1-3H3,(H,23,27)(H,25,28)
InChIKeyAZKYPJNHCNZYEO-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.41
Rot. Bonds6

About 1-benzyl-5-ethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide

1-benzyl-5-ethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide (PubChem CID 78873630) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-benzyl-5-ethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-ethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide
PubChem CID78873630
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-benzyl-5-ethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2cccc(C(=O)NC)c2C)cnn1Cc1ccccc1
InChIInChI=1S/C22H24N4O2/c1-4-20-18(13-24-26(20)14-16-9-6-5-7-10-16)22(28)25-19-12-8-11-17(15(19)2)21(27)23-3/h5-13H,4,14H2,1-3H3,(H,23,27)(H,25,28)
InChIKeyAZKYPJNHCNZYEO-UHFFFAOYSA-N
XLogP3.41
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(2-bromophenyl)-5-ethylpyrazole-4-carboxamide
CID 78874152
1-benzyl-5-ethyl-N-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 78874158
3-benzyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-4-oxophthalazine-1-carboxamide
CID 46434266
1-benzyl-5-ethyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 78887495
methyl N-[4-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]carbamate
CID 78890376
1-benzyl-5-ethyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 78873764
3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]butanoic acid
CID 119347896
1-benzyl-5-ethyl-N-(1-hydroxypropan-2-yl)pyrazole-4-carboxamide
CID 110890160
3-[(4-ethylbenzoyl)amino]-N,2-dimethylbenzamide
CID 46461694
1-benzyl-N-[3-(difluoromethoxy)phenyl]-5-ethylpyrazole-4-carboxamide
CID 78889307
1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide
CID 78874188
1-benzyl-N-[2-(2,6-difluorophenyl)ethyl]-5-ethylpyrazole-4-carboxamide
CID 78892567

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-ethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-ethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide (CID 78873630) is 1-benzyl-5-ethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-ethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-ethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide is CCc1c(C(=O)Nc2cccc(C(=O)NC)c2C)cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-ethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is AZKYPJNHCNZYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-4-20-18(13-24-26(20)14-16-9-6-5-7-10-16)22(28)25-19-12-8-11-17(15(19)2)21(27)23-3/h5-13H,4,14H2,1-3H3,(H,23,27)(H,25,28).
What are the key properties of 1-benzyl-5-ethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide?
1-benzyl-5-ethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-ethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 78873630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).