1-(3-chlorophenyl)-5-ethyl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pyrazole-4-carboxamide

C22H23ClN4O3 — CID 46589827

IUPAC1-(3-chlorophenyl)-5-ethyl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCC(=O)Nc2cc(C)ccc2OC)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C22H23ClN4O3/c1-4-19-17(12-25-27(19)16-7-5-6-15(23)11-16)22(29)24-13-21(28)26-18-10-14(2)8-9-20(18)30-3/h5-12H,4,13H2,1-3H3,(H,24,29)(H,26,28)
InChIKeyAYAOJNASQLGUCN-UHFFFAOYSA-N
MW426.90 g/mol
LogP3.77
Rot. Bonds7

About 1-(3-chlorophenyl)-5-ethyl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pyrazole-4-carboxamide

1-(3-chlorophenyl)-5-ethyl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pyrazole-4-carboxamide (PubChem CID 46589827) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-ethyl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-ethyl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pyrazole-4-carboxamide
PubChem CID46589827
Molecular FormulaC22H23ClN4O3
Molecular Weight426.90 g/mol
Exact Mass426.15
IUPAC Name1-(3-chlorophenyl)-5-ethyl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCC(=O)Nc2cc(C)ccc2OC)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C22H23ClN4O3/c1-4-19-17(12-25-27(19)16-7-5-6-15(23)11-16)22(29)24-13-21(28)26-18-10-14(2)8-9-20(18)30-3/h5-12H,4,13H2,1-3H3,(H,24,29)(H,26,28)
InChIKeyAYAOJNASQLGUCN-UHFFFAOYSA-N
XLogP3.77
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-N-(cyanomethyl)-5-ethylpyrazole-4-carboxamide
CID 52832765
1-(3-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-5-ethylpyrazole-4-carboxamide
CID 55595506
1-(3-chlorophenyl)-5-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 46589414
1-(3-chlorophenyl)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-ethylpyrazole-4-carboxamide
CID 46589359
2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 27156862
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46426792
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-methoxybenzamide
CID 26582702
N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide;hydrochloride
CID 119639884
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide
CID 28917301
N-(5-bromo-2-methoxyphenyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 55905390
5-(3-chlorophenyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide
CID 37344228
1-(3-chlorophenyl)-5-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 31900386

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-ethyl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-5-ethyl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pyrazole-4-carboxamide (CID 46589827) is 1-(3-chlorophenyl)-5-ethyl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-5-ethyl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-5-ethyl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pyrazole-4-carboxamide is CCc1c(C(=O)NCC(=O)Nc2cc(C)ccc2OC)cnn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-5-ethyl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pyrazole-4-carboxamide?
The InChIKey is AYAOJNASQLGUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c1-4-19-17(12-25-27(19)16-7-5-6-15(23)11-16)22(29)24-13-21(28)26-18-10-14(2)8-9-20(18)30-3/h5-12H,4,13H2,1-3H3,(H,24,29)(H,26,28).
What are the key properties of 1-(3-chlorophenyl)-5-ethyl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pyrazole-4-carboxamide?
1-(3-chlorophenyl)-5-ethyl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pyrazole-4-carboxamide has a molecular weight of 426.90 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-ethyl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 46589827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).