5-cyclopropyl-N-(3,4-dimethoxyphenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxamide

C19H23N3O5S — CID 42475962

IUPAC5-cyclopropyl-N-(3,4-dimethoxyphenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C3CC3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1OC
InChIInChI=1S/C19H23N3O5S/c1-26-17-6-5-13(9-18(17)27-2)20-19(23)15-10-16(12-3-4-12)22(21-15)14-7-8-28(24,25)11-14/h5-6,9-10,12,14H,3-4,7-8,11H2,1-2H3,(H,20,23)/t14-/m1/s1
InChIKeyUGZYDLRCMUFWHJ-CQSZACIVSA-N
MW405.48 g/mol
LogP2.39
Rot. Bonds6

About 5-cyclopropyl-N-(3,4-dimethoxyphenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxamide

5-cyclopropyl-N-(3,4-dimethoxyphenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxamide (PubChem CID 42475962) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is 5-cyclopropyl-N-(3,4-dimethoxyphenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(3,4-dimethoxyphenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxamide
PubChem CID42475962
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Name5-cyclopropyl-N-(3,4-dimethoxyphenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C3CC3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1OC
InChIInChI=1S/C19H23N3O5S/c1-26-17-6-5-13(9-18(17)27-2)20-19(23)15-10-16(12-3-4-12)22(21-15)14-7-8-28(24,25)11-14/h5-6,9-10,12,14H,3-4,7-8,11H2,1-2H3,(H,20,23)/t14-/m1/s1
InChIKeyUGZYDLRCMUFWHJ-CQSZACIVSA-N
XLogP2.39
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(3,4-dimethoxyphenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(3,4-dimethoxyphenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxamide (CID 42475962) is 5-cyclopropyl-N-(3,4-dimethoxyphenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(3,4-dimethoxyphenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(3,4-dimethoxyphenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxamide is COc1ccc(NC(=O)c2cc(C3CC3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1OC.
What is the InChIKey of 5-cyclopropyl-N-(3,4-dimethoxyphenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxamide?
The InChIKey is UGZYDLRCMUFWHJ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-26-17-6-5-13(9-18(17)27-2)20-19(23)15-10-16(12-3-4-12)22(21-15)14-7-8-28(24,25)11-14/h5-6,9-10,12,14H,3-4,7-8,11H2,1-2H3,(H,20,23)/t14-/m1/s1.
What are the key properties of 5-cyclopropyl-N-(3,4-dimethoxyphenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxamide?
5-cyclopropyl-N-(3,4-dimethoxyphenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(3,4-dimethoxyphenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 42475962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).