[3-(3,5-dimethyl-1H-pyrrol-2-yl)pyrazol-1-yl]-(4-methylthiadiazol-5-yl)methanone

C13H13N5OS — CID 2742927

IUPAC[3-(3,5-dimethyl-1H-pyrrol-2-yl)pyrazol-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1cc(C)c(-c2ccn(C(=O)c3snnc3C)n2)[nH]1
InChIInChI=1S/C13H13N5OS/c1-7-6-8(2)14-11(7)10-4-5-18(16-10)13(19)12-9(3)15-17-20-12/h4-6,14H,1-3H3
InChIKeyCHCWVEZYMVHBDC-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.34
Rot. Bonds2

About [3-(3,5-dimethyl-1H-pyrrol-2-yl)pyrazol-1-yl]-(4-methylthiadiazol-5-yl)methanone

[3-(3,5-dimethyl-1H-pyrrol-2-yl)pyrazol-1-yl]-(4-methylthiadiazol-5-yl)methanone (PubChem CID 2742927) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is [3-(3,5-dimethyl-1H-pyrrol-2-yl)pyrazol-1-yl]-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(3,5-dimethyl-1H-pyrrol-2-yl)pyrazol-1-yl]-(4-methylthiadiazol-5-yl)methanone
PubChem CID2742927
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC Name[3-(3,5-dimethyl-1H-pyrrol-2-yl)pyrazol-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1cc(C)c(-c2ccn(C(=O)c3snnc3C)n2)[nH]1
InChIInChI=1S/C13H13N5OS/c1-7-6-8(2)14-11(7)10-4-5-18(16-10)13(19)12-9(3)15-17-20-12/h4-6,14H,1-3H3
InChIKeyCHCWVEZYMVHBDC-UHFFFAOYSA-N
XLogP2.34
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(3,5-dimethyl-1H-pyrrol-2-yl)pyrazol-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of [3-(3,5-dimethyl-1H-pyrrol-2-yl)pyrazol-1-yl]-(4-methylthiadiazol-5-yl)methanone (CID 2742927) is [3-(3,5-dimethyl-1H-pyrrol-2-yl)pyrazol-1-yl]-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for [3-(3,5-dimethyl-1H-pyrrol-2-yl)pyrazol-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for [3-(3,5-dimethyl-1H-pyrrol-2-yl)pyrazol-1-yl]-(4-methylthiadiazol-5-yl)methanone is Cc1cc(C)c(-c2ccn(C(=O)c3snnc3C)n2)[nH]1.
What is the InChIKey of [3-(3,5-dimethyl-1H-pyrrol-2-yl)pyrazol-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is CHCWVEZYMVHBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-7-6-8(2)14-11(7)10-4-5-18(16-10)13(19)12-9(3)15-17-20-12/h4-6,14H,1-3H3.
What are the key properties of [3-(3,5-dimethyl-1H-pyrrol-2-yl)pyrazol-1-yl]-(4-methylthiadiazol-5-yl)methanone?
[3-(3,5-dimethyl-1H-pyrrol-2-yl)pyrazol-1-yl]-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 287.35 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-dimethyl-1H-pyrrol-2-yl)pyrazol-1-yl]-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 2742927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).