N-(1,1-dioxothiolan-3-yl)-3-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide

C16H19N3O4S — CID 4859711

IUPACN-(1,1-dioxothiolan-3-yl)-3-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCc1ccc(O)c(-c2cc(C(=O)NC3CCS(=O)(=O)C3)[nH]n2)c1
InChIInChI=1S/C16H19N3O4S/c1-2-10-3-4-15(20)12(7-10)13-8-14(19-18-13)16(21)17-11-5-6-24(22,23)9-11/h3-4,7-8,11,20H,2,5-6,9H2,1H3,(H,17,21)(H,18,19)
InChIKeyMWBYLBNDPRSIIZ-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.26
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-3-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide

N-(1,1-dioxothiolan-3-yl)-3-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 4859711) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-3-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-3-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID4859711
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-3-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCc1ccc(O)c(-c2cc(C(=O)NC3CCS(=O)(=O)C3)[nH]n2)c1
InChIInChI=1S/C16H19N3O4S/c1-2-10-3-4-15(20)12(7-10)13-8-14(19-18-13)16(21)17-11-5-6-24(22,23)9-11/h3-4,7-8,11,20H,2,5-6,9H2,1H3,(H,17,21)(H,18,19)
InChIKeyMWBYLBNDPRSIIZ-UHFFFAOYSA-N
XLogP1.26
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide (CID 4859711) is N-(1,1-dioxothiolan-3-yl)-3-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-3-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-3-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide is CCc1ccc(O)c(-c2cc(C(=O)NC3CCS(=O)(=O)C3)[nH]n2)c1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-3-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is MWBYLBNDPRSIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-2-10-3-4-15(20)12(7-10)13-8-14(19-18-13)16(21)17-11-5-6-24(22,23)9-11/h3-4,7-8,11,20H,2,5-6,9H2,1H3,(H,17,21)(H,18,19).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-3-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
N-(1,1-dioxothiolan-3-yl)-3-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-3-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 4859711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).