1-benzyl-N-[2-(3-chloroanilino)-2-oxoethyl]-5-ethyl-N-methylpyrazole-4-carboxamide

C22H23ClN4O2 — CID 78873289

IUPAC1-benzyl-N-[2-(3-chloroanilino)-2-oxoethyl]-5-ethyl-N-methylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)N(C)CC(=O)Nc2cccc(Cl)c2)cnn1Cc1ccccc1
InChIInChI=1S/C22H23ClN4O2/c1-3-20-19(13-24-27(20)14-16-8-5-4-6-9-16)22(29)26(2)15-21(28)25-18-11-7-10-17(23)12-18/h4-13H,3,14-15H2,1-2H3,(H,25,28)
InChIKeyDEXKFAAAFNLAKE-UHFFFAOYSA-N
MW410.91 g/mol
LogP3.86
Rot. Bonds7

About 1-benzyl-N-[2-(3-chloroanilino)-2-oxoethyl]-5-ethyl-N-methylpyrazole-4-carboxamide

1-benzyl-N-[2-(3-chloroanilino)-2-oxoethyl]-5-ethyl-N-methylpyrazole-4-carboxamide (PubChem CID 78873289) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 1-benzyl-N-[2-(3-chloroanilino)-2-oxoethyl]-5-ethyl-N-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(3-chloroanilino)-2-oxoethyl]-5-ethyl-N-methylpyrazole-4-carboxamide
PubChem CID78873289
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name1-benzyl-N-[2-(3-chloroanilino)-2-oxoethyl]-5-ethyl-N-methylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)N(C)CC(=O)Nc2cccc(Cl)c2)cnn1Cc1ccccc1
InChIInChI=1S/C22H23ClN4O2/c1-3-20-19(13-24-27(20)14-16-8-5-4-6-9-16)22(29)26(2)15-21(28)25-18-11-7-10-17(23)12-18/h4-13H,3,14-15H2,1-2H3,(H,25,28)
InChIKeyDEXKFAAAFNLAKE-UHFFFAOYSA-N
XLogP3.86
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-5-chloro-N-[2-(3-chloroanilino)-2-oxoethyl]-N,3-dimethylpyrazole-4-carboxamide
CID 33287131
N,1-dibenzyl-5-ethyl-N-methylpyrazole-4-carboxamide
CID 78874071
1-benzyl-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide
CID 55653979
1-benzyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-5-ethylpyrazole-4-carboxamide
CID 78873511
N-[2-(3-chloroanilino)-2-oxoethyl]-1-(furan-2-ylmethyl)-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 38621778
2-[(1-benzyl-5-ethylpyrazole-4-carbonyl)-ethylamino]acetic acid
CID 120519737
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-phenylmethoxybenzamide
CID 33284692
1-benzyl-5-ethyl-N-methyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 78872749
1-benzyl-N-[3-(difluoromethoxy)phenyl]-5-ethylpyrazole-4-carboxamide
CID 78889307
1-(3-chlorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide
CID 43059088
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 38624834
N-(3-amino-4-methylpentyl)-1-benzyl-5-ethyl-N-methylpyrazole-4-carboxamide;hydrochloride
CID 119659628

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(3-chloroanilino)-2-oxoethyl]-5-ethyl-N-methylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(3-chloroanilino)-2-oxoethyl]-5-ethyl-N-methylpyrazole-4-carboxamide (CID 78873289) is 1-benzyl-N-[2-(3-chloroanilino)-2-oxoethyl]-5-ethyl-N-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(3-chloroanilino)-2-oxoethyl]-5-ethyl-N-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(3-chloroanilino)-2-oxoethyl]-5-ethyl-N-methylpyrazole-4-carboxamide is CCc1c(C(=O)N(C)CC(=O)Nc2cccc(Cl)c2)cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[2-(3-chloroanilino)-2-oxoethyl]-5-ethyl-N-methylpyrazole-4-carboxamide?
The InChIKey is DEXKFAAAFNLAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-3-20-19(13-24-27(20)14-16-8-5-4-6-9-16)22(29)26(2)15-21(28)25-18-11-7-10-17(23)12-18/h4-13H,3,14-15H2,1-2H3,(H,25,28).
What are the key properties of 1-benzyl-N-[2-(3-chloroanilino)-2-oxoethyl]-5-ethyl-N-methylpyrazole-4-carboxamide?
1-benzyl-N-[2-(3-chloroanilino)-2-oxoethyl]-5-ethyl-N-methylpyrazole-4-carboxamide has a molecular weight of 410.91 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(3-chloroanilino)-2-oxoethyl]-5-ethyl-N-methylpyrazole-4-carboxamide is sourced from PubChem (CID 78873289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).