4-fluoro-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine

C9H10FN3S — CID 165498969

IUPAC4-fluoro-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine
SMILESCc1ccc(-c2nn(C)c(N)c2F)s1
InChIInChI=1S/C9H10FN3S/c1-5-3-4-6(14-5)8-7(10)9(11)13(2)12-8/h3-4H,11H2,1-2H3
InChIKeyJMQFCYLCFKTWFW-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.18
Rot. Bonds1

About 4-fluoro-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine

4-fluoro-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine (PubChem CID 165498969) has the molecular formula C9H10FN3S and a molecular weight of 211.27 g/mol. Its IUPAC name is 4-fluoro-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name4-fluoro-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine
PubChem CID165498969
Molecular FormulaC9H10FN3S
Molecular Weight211.27 g/mol
Exact Mass211.06
IUPAC Name4-fluoro-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine
SMILESCc1ccc(-c2nn(C)c(N)c2F)s1
InChIInChI=1S/C9H10FN3S/c1-5-3-4-6(14-5)8-7(10)9(11)13(2)12-8/h3-4H,11H2,1-2H3
InChIKeyJMQFCYLCFKTWFW-UHFFFAOYSA-N
XLogP2.18
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine?
The IUPAC name of 4-fluoro-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine (CID 165498969) is 4-fluoro-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine.
What is the SMILES notation for 4-fluoro-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine?
The canonical SMILES for 4-fluoro-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine is Cc1ccc(-c2nn(C)c(N)c2F)s1.
What is the InChIKey of 4-fluoro-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine?
The InChIKey is JMQFCYLCFKTWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3S/c1-5-3-4-6(14-5)8-7(10)9(11)13(2)12-8/h3-4H,11H2,1-2H3.
What are the key properties of 4-fluoro-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine?
4-fluoro-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine has a molecular weight of 211.27 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine is sourced from PubChem (CID 165498969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).