N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-methylthiadiazole-5-carboxamide

C15H15N5O2S — CID 7293456

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C15H15N5O2S/c1-9-13(23-18-17-9)14(21)16-12-10(2)19(3)20(15(12)22)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,16,21)
InChIKeyFMFAZYPHFCZWLB-UHFFFAOYSA-N
MW329.39 g/mol
LogP1.90
Rot. Bonds3

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-methylthiadiazole-5-carboxamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-methylthiadiazole-5-carboxamide (PubChem CID 7293456) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-methylthiadiazole-5-carboxamide
PubChem CID7293456
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C15H15N5O2S/c1-9-13(23-18-17-9)14(21)16-12-10(2)19(3)20(15(12)22)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,16,21)
InChIKeyFMFAZYPHFCZWLB-UHFFFAOYSA-N
XLogP1.90
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 51.90
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)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-methylthiadiazole-5-carboxamide (CID 7293456) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is FMFAZYPHFCZWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-9-13(23-18-17-9)14(21)16-12-10(2)19(3)20(15(12)22)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,16,21).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-methylthiadiazole-5-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 329.39 g/mol, XLogP of 1.90, 3 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)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 7293456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).