1-(3-chlorophenyl)-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazole-4-carboxamide

C18H20ClN3O3S — CID 52572365

IUPAC1-(3-chlorophenyl)-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C18H20ClN3O3S/c1-12-17(10-20-22(12)15-4-2-3-13(19)9-15)18(23)21(14-5-6-14)16-7-8-26(24,25)11-16/h2-4,9-10,14,16H,5-8,11H2,1H3/t16-/m0/s1
InChIKeyHCFWKKCUOVVUPZ-INIZCTEOSA-N
MW393.90 g/mol
LogP2.63
Rot. Bonds4

About 1-(3-chlorophenyl)-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazole-4-carboxamide

1-(3-chlorophenyl)-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazole-4-carboxamide (PubChem CID 52572365) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazole-4-carboxamide
PubChem CID52572365
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC Name1-(3-chlorophenyl)-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C18H20ClN3O3S/c1-12-17(10-20-22(12)15-4-2-3-13(19)9-15)18(23)21(14-5-6-14)16-7-8-26(24,25)11-16/h2-4,9-10,14,16H,5-8,11H2,1H3/t16-/m0/s1
InChIKeyHCFWKKCUOVVUPZ-INIZCTEOSA-N
XLogP2.63
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3-chlorophenyl)-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-N-cyclopropyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 47024593
1-[4-[[(3R)-1,1-dioxothiolan-3-yl]-ethylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid
CID 125153525
2-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]-methylamino]propanoic acid
CID 119209354
1-(3-chlorophenyl)-N,5-dimethyl-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 134059030
3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide
CID 18573581
N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)-5-methyl-N-prop-2-enylpyrazole-4-carboxamide
CID 60560535
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-fluoro-2-methylbenzamide
CID 75868233
1-(3-chlorophenyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119512036
N-cyclopentyl-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide
CID 134060993
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-iodobenzamide
CID 55452976
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide
CID 60605416
1-(3-chlorophenyl)-5-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119451648

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazole-4-carboxamide (CID 52572365) is 1-(3-chlorophenyl)-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)cnn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazole-4-carboxamide?
The InChIKey is HCFWKKCUOVVUPZ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-12-17(10-20-22(12)15-4-2-3-13(19)9-15)18(23)21(14-5-6-14)16-7-8-26(24,25)11-16/h2-4,9-10,14,16H,5-8,11H2,1H3/t16-/m0/s1.
What are the key properties of 1-(3-chlorophenyl)-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazole-4-carboxamide?
1-(3-chlorophenyl)-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazole-4-carboxamide has a molecular weight of 393.90 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 52572365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).