1,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-3-amine

C10H13N3S — CID 19626744

IUPAC1,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-3-amine
SMILESCc1cc(NCc2cccs2)nn1C
InChIInChI=1S/C10H13N3S/c1-8-6-10(12-13(8)2)11-7-9-4-3-5-14-9/h3-6H,7H2,1-2H3,(H,11,12)
InChIKeyBLLRUZQEZHBKMI-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.40
Rot. Bonds3

About 1,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-3-amine

1,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-3-amine (PubChem CID 19626744) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 1,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-3-amine
PubChem CID19626744
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name1,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-3-amine
SMILESCc1cc(NCc2cccs2)nn1C
InChIInChI=1S/C10H13N3S/c1-8-6-10(12-13(8)2)11-7-9-4-3-5-14-9/h3-6H,7H2,1-2H3,(H,11,12)
InChIKeyBLLRUZQEZHBKMI-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-2-ylmethyl)pyrazol-3-amine?
The IUPAC name of 1,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-3-amine (CID 19626744) is 1,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-3-amine.
What is the SMILES notation for 1,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-3-amine?
The canonical SMILES for 1,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-3-amine is Cc1cc(NCc2cccs2)nn1C.
What is the InChIKey of 1,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-3-amine?
The InChIKey is BLLRUZQEZHBKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-8-6-10(12-13(8)2)11-7-9-4-3-5-14-9/h3-6H,7H2,1-2H3,(H,11,12).
What are the key properties of 1,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-3-amine?
1,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-3-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-2-ylmethyl)pyrazol-3-amine is sourced from PubChem (CID 19626744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).