1-propyl-N-(thiophen-3-ylmethyl)pyrazol-3-amine

C11H15N3S — CID 19626808

IUPAC1-propyl-N-(thiophen-3-ylmethyl)pyrazol-3-amine
SMILESCCCn1ccc(NCc2ccsc2)n1
InChIInChI=1S/C11H15N3S/c1-2-5-14-6-3-11(13-14)12-8-10-4-7-15-9-10/h3-4,6-7,9H,2,5,8H2,1H3,(H,12,13)
InChIKeyGGKRRPBHPSLOKQ-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.97
Rot. Bonds5

About 1-propyl-N-(thiophen-3-ylmethyl)pyrazol-3-amine

1-propyl-N-(thiophen-3-ylmethyl)pyrazol-3-amine (PubChem CID 19626808) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 1-propyl-N-(thiophen-3-ylmethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-propyl-N-(thiophen-3-ylmethyl)pyrazol-3-amine
PubChem CID19626808
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name1-propyl-N-(thiophen-3-ylmethyl)pyrazol-3-amine
SMILESCCCn1ccc(NCc2ccsc2)n1
InChIInChI=1S/C11H15N3S/c1-2-5-14-6-3-11(13-14)12-8-10-4-7-15-9-10/h3-4,6-7,9H,2,5,8H2,1H3,(H,12,13)
InChIKeyGGKRRPBHPSLOKQ-UHFFFAOYSA-N
XLogP2.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-(thiophen-3-ylmethyl)pyrazol-3-amine?
The IUPAC name of 1-propyl-N-(thiophen-3-ylmethyl)pyrazol-3-amine (CID 19626808) is 1-propyl-N-(thiophen-3-ylmethyl)pyrazol-3-amine.
What is the SMILES notation for 1-propyl-N-(thiophen-3-ylmethyl)pyrazol-3-amine?
The canonical SMILES for 1-propyl-N-(thiophen-3-ylmethyl)pyrazol-3-amine is CCCn1ccc(NCc2ccsc2)n1.
What is the InChIKey of 1-propyl-N-(thiophen-3-ylmethyl)pyrazol-3-amine?
The InChIKey is GGKRRPBHPSLOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-2-5-14-6-3-11(13-14)12-8-10-4-7-15-9-10/h3-4,6-7,9H,2,5,8H2,1H3,(H,12,13).
What are the key properties of 1-propyl-N-(thiophen-3-ylmethyl)pyrazol-3-amine?
1-propyl-N-(thiophen-3-ylmethyl)pyrazol-3-amine has a molecular weight of 221.33 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-(thiophen-3-ylmethyl)pyrazol-3-amine is sourced from PubChem (CID 19626808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).