3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-amine

C10H13N3S — CID 43646122

IUPAC3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-amine
SMILESCc1nn(Cc2ccsc2)c(C)c1N
InChIInChI=1S/C10H13N3S/c1-7-10(11)8(2)13(12-7)5-9-3-4-14-6-9/h3-4,6H,5,11H2,1-2H3
InChIKeyVBJFKFYPXHSRTK-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.19
Rot. Bonds2

About 3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-amine

3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-amine (PubChem CID 43646122) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-amine
PubChem CID43646122
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-amine
SMILESCc1nn(Cc2ccsc2)c(C)c1N
InChIInChI=1S/C10H13N3S/c1-7-10(11)8(2)13(12-7)5-9-3-4-14-6-9/h3-4,6H,5,11H2,1-2H3
InChIKeyVBJFKFYPXHSRTK-UHFFFAOYSA-N
XLogP2.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-amine (CID 43646122) is 3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-amine is Cc1nn(Cc2ccsc2)c(C)c1N.
What is the InChIKey of 3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-amine?
The InChIKey is VBJFKFYPXHSRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-7-10(11)8(2)13(12-7)5-9-3-4-14-6-9/h3-4,6H,5,11H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-amine?
3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-amine has a molecular weight of 207.30 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 43646122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).