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

C15H17N7O2S — CID 1224972

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCc1c(NC(=O)CSc2nnnn2C)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C15H17N7O2S/c1-10-13(16-12(23)9-25-15-17-18-19-20(15)2)14(24)22(21(10)3)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,16,23)
InChIKeyOYTORPOSKUOXQJ-UHFFFAOYSA-N
MW359.42 g/mol
LogP0.74
Rot. Bonds5

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

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 1224972) has the molecular formula C15H17N7O2S and a molecular weight of 359.42 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID1224972
Molecular FormulaC15H17N7O2S
Molecular Weight359.42 g/mol
Exact Mass359.12
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCc1c(NC(=O)CSc2nnnn2C)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C15H17N7O2S/c1-10-13(16-12(23)9-25-15-17-18-19-20(15)2)14(24)22(21(10)3)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,16,23)
InChIKeyOYTORPOSKUOXQJ-UHFFFAOYSA-N
XLogP0.74
TPSA99.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 1224972) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cc1c(NC(=O)CSc2nnnn2C)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is OYTORPOSKUOXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O2S/c1-10-13(16-12(23)9-25-15-17-18-19-20(15)2)14(24)22(21(10)3)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,16,23).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 359.42 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 1224972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).