2,5-dimethyl-4-(5-methylthiophen-2-yl)-1H-pyrazol-3-one

C10H12N2OS — CID 165451140

IUPAC2,5-dimethyl-4-(5-methylthiophen-2-yl)-1H-pyrazol-3-one
SMILESCc1ccc(-c2c(C)[nH]n(C)c2=O)s1
InChIInChI=1S/C10H12N2OS/c1-6-4-5-8(14-6)9-7(2)11-12(3)10(9)13/h4-5,11H,1-3H3
InChIKeyAMGPKAFYQBLSDP-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.06
Rot. Bonds1

About 2,5-dimethyl-4-(5-methylthiophen-2-yl)-1H-pyrazol-3-one

2,5-dimethyl-4-(5-methylthiophen-2-yl)-1H-pyrazol-3-one (PubChem CID 165451140) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 2,5-dimethyl-4-(5-methylthiophen-2-yl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2,5-dimethyl-4-(5-methylthiophen-2-yl)-1H-pyrazol-3-one
PubChem CID165451140
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name2,5-dimethyl-4-(5-methylthiophen-2-yl)-1H-pyrazol-3-one
SMILESCc1ccc(-c2c(C)[nH]n(C)c2=O)s1
InChIInChI=1S/C10H12N2OS/c1-6-4-5-8(14-6)9-7(2)11-12(3)10(9)13/h4-5,11H,1-3H3
InChIKeyAMGPKAFYQBLSDP-UHFFFAOYSA-N
XLogP2.06
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(5-methylthiophen-2-yl)-1H-pyrazol-3-one?
The IUPAC name of 2,5-dimethyl-4-(5-methylthiophen-2-yl)-1H-pyrazol-3-one (CID 165451140) is 2,5-dimethyl-4-(5-methylthiophen-2-yl)-1H-pyrazol-3-one.
What is the SMILES notation for 2,5-dimethyl-4-(5-methylthiophen-2-yl)-1H-pyrazol-3-one?
The canonical SMILES for 2,5-dimethyl-4-(5-methylthiophen-2-yl)-1H-pyrazol-3-one is Cc1ccc(-c2c(C)[nH]n(C)c2=O)s1.
What is the InChIKey of 2,5-dimethyl-4-(5-methylthiophen-2-yl)-1H-pyrazol-3-one?
The InChIKey is AMGPKAFYQBLSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-6-4-5-8(14-6)9-7(2)11-12(3)10(9)13/h4-5,11H,1-3H3.
What are the key properties of 2,5-dimethyl-4-(5-methylthiophen-2-yl)-1H-pyrazol-3-one?
2,5-dimethyl-4-(5-methylthiophen-2-yl)-1H-pyrazol-3-one has a molecular weight of 208.29 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(5-methylthiophen-2-yl)-1H-pyrazol-3-one is sourced from PubChem (CID 165451140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).