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

C10H13N3S — CID 19626769

IUPAC1,5-dimethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine
SMILESCc1c(NCc2ccsc2)cnn1C
InChIInChI=1S/C10H13N3S/c1-8-10(6-12-13(8)2)11-5-9-3-4-14-7-9/h3-4,6-7,11H,5H2,1-2H3
InChIKeyDJPZSTBMJHKDAD-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.40
Rot. Bonds3

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

1,5-dimethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine (PubChem CID 19626769) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 1,5-dimethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1,5-dimethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine
PubChem CID19626769
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name1,5-dimethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine
SMILESCc1c(NCc2ccsc2)cnn1C
InChIInChI=1S/C10H13N3S/c1-8-10(6-12-13(8)2)11-5-9-3-4-14-7-9/h3-4,6-7,11H,5H2,1-2H3
InChIKeyDJPZSTBMJHKDAD-UHFFFAOYSA-N
XLogP2.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine?
The IUPAC name of 1,5-dimethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine (CID 19626769) is 1,5-dimethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 1,5-dimethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 1,5-dimethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine is Cc1c(NCc2ccsc2)cnn1C.
What is the InChIKey of 1,5-dimethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine?
The InChIKey is DJPZSTBMJHKDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-8-10(6-12-13(8)2)11-5-9-3-4-14-7-9/h3-4,6-7,11H,5H2,1-2H3.
What are the key properties of 1,5-dimethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine?
1,5-dimethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine has a molecular weight of 207.30 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 19626769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).