5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrazole-3-carboxamide

C19H23N3O4S — CID 110295501

IUPAC5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrazole-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(C2CC2)n(C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C19H23N3O4S/c1-26-18-5-3-2-4-14(18)11-20-19(23)16-10-17(13-6-7-13)22(21-16)15-8-9-27(24,25)12-15/h2-5,10,13,15H,6-9,11-12H2,1H3,(H,20,23)
InChIKeyXAJOLRQOWFWSCA-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.06
Rot. Bonds6

About 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrazole-3-carboxamide

5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrazole-3-carboxamide (PubChem CID 110295501) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrazole-3-carboxamide
PubChem CID110295501
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrazole-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(C2CC2)n(C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C19H23N3O4S/c1-26-18-5-3-2-4-14(18)11-20-19(23)16-10-17(13-6-7-13)22(21-16)15-8-9-27(24,25)12-15/h2-5,10,13,15H,6-9,11-12H2,1H3,(H,20,23)
InChIKeyXAJOLRQOWFWSCA-UHFFFAOYSA-N
XLogP2.06
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrazole-3-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

5-cyclopropyl-N-(3,4-dimethoxyphenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxamide
CID 42475962
5-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-N-(3-methoxyphenyl)pyrazole-3-carboxamide
CID 42475951
N-(3-chloro-4-methoxyphenyl)-5-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxamide
CID 42475934
5-cyclopropyl-N-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide
CID 21008630
1-(1,1-dioxothiolan-3-yl)-N-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboxamide
CID 110390740
N-[(2-chlorophenyl)methyl]-1-(1,1-dioxothiolan-3-yl)-5-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 20997385
5-cyclopropyl-N-[[1-(dimethylamino)-4-methylcyclohexyl]methyl]-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxamide
CID 92583737
1-[(3S)-1,1-dioxothiolan-3-yl]-N-[2-(2-methoxyphenyl)ethyl]-5-thiophen-2-ylpyrazole-3-carboxamide
CID 51662253
N-tert-butyl-5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide
CID 21008591
5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-methyl-N-phenylpyrazole-3-carboxamide
CID 21008507
5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 110312137
1-[(3R)-1,1-dioxothiolan-3-yl]-N-[(4-methoxyphenyl)methyl]-5-phenylpyrazole-3-carboxamide
CID 42476036

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrazole-3-carboxamide (CID 110295501) is 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrazole-3-carboxamide is COc1ccccc1CNC(=O)c1cc(C2CC2)n(C2CCS(=O)(=O)C2)n1.
What is the InChIKey of 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrazole-3-carboxamide?
The InChIKey is XAJOLRQOWFWSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-26-18-5-3-2-4-14(18)11-20-19(23)16-10-17(13-6-7-13)22(21-16)15-8-9-27(24,25)12-15/h2-5,10,13,15H,6-9,11-12H2,1H3,(H,20,23).
What are the key properties of 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrazole-3-carboxamide?
5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrazole-3-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 110295501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).