N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)sulfanylacetamide

C17H19N5O2S — CID 3616605

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCc1c(NC(=O)CSc2nccn2C)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C17H19N5O2S/c1-12-15(19-14(23)11-25-17-18-9-10-20(17)2)16(24)22(21(12)3)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3,(H,19,23)
InChIKeyWZPVRRDORZQICN-UHFFFAOYSA-N
MW357.44 g/mol
LogP1.95
Rot. Bonds5

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)sulfanylacetamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (PubChem CID 3616605) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
PubChem CID3616605
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCc1c(NC(=O)CSc2nccn2C)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C17H19N5O2S/c1-12-15(19-14(23)11-25-17-18-9-10-20(17)2)16(24)22(21(12)3)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3,(H,19,23)
InChIKeyWZPVRRDORZQICN-UHFFFAOYSA-N
XLogP1.95
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (CID 3616605) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)sulfanylacetamide is Cc1c(NC(=O)CSc2nccn2C)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The InChIKey is WZPVRRDORZQICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-12-15(19-14(23)11-25-17-18-9-10-20(17)2)16(24)22(21(12)3)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3,(H,19,23).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)sulfanylacetamide has a molecular weight of 357.44 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 3616605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).