1-(3-chlorophenyl)-5-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide

C18H21ClN4O2 — CID 46589414

IUPAC1-(3-chlorophenyl)-5-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCC(=O)N2CCCC2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C18H21ClN4O2/c1-2-16-15(11-21-23(16)14-7-5-6-13(19)10-14)18(25)20-12-17(24)22-8-3-4-9-22/h5-7,10-11H,2-4,8-9,12H2,1H3,(H,20,25)
InChIKeySANKYWJQQLGOCU-UHFFFAOYSA-N
MW360.85 g/mol
LogP2.44
Rot. Bonds5

About 1-(3-chlorophenyl)-5-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide

1-(3-chlorophenyl)-5-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide (PubChem CID 46589414) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
PubChem CID46589414
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Name1-(3-chlorophenyl)-5-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCC(=O)N2CCCC2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C18H21ClN4O2/c1-2-16-15(11-21-23(16)14-7-5-6-13(19)10-14)18(25)20-12-17(24)22-8-3-4-9-22/h5-7,10-11H,2-4,8-9,12H2,1H3,(H,20,25)
InChIKeySANKYWJQQLGOCU-UHFFFAOYSA-N
XLogP2.44
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 52654373
1-(3-chlorophenyl)-N-(cyanomethyl)-5-ethylpyrazole-4-carboxamide
CID 52832765
N-butan-2-yl-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 46671572
N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide;hydrochloride
CID 119639884
1-(3-chlorophenyl)-N-cyclopropyl-5-ethylpyrazole-4-carboxamide
CID 31900860
1-(3-chlorophenyl)-5-ethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide
CID 32953030
(2R)-2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]propanoic acid
CID 119244369
[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 31853159
1-(3-chlorophenyl)-5-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 31900386
[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 55596430
N-[(4-carbamoylphenyl)methyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 46589750
1-(3-chlorophenyl)-5-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
CID 39562340

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-5-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide (CID 46589414) is 1-(3-chlorophenyl)-5-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-5-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-5-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide is CCc1c(C(=O)NCC(=O)N2CCCC2)cnn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-5-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?
The InChIKey is SANKYWJQQLGOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-2-16-15(11-21-23(16)14-7-5-6-13(19)10-14)18(25)20-12-17(24)22-8-3-4-9-22/h5-7,10-11H,2-4,8-9,12H2,1H3,(H,20,25).
What are the key properties of 1-(3-chlorophenyl)-5-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?
1-(3-chlorophenyl)-5-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide has a molecular weight of 360.85 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 46589414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).