(1-cyclopentyl-3-thiophen-2-ylpyrazol-5-yl)methanamine

C13H17N3S — CID 91623969

IUPAC(1-cyclopentyl-3-thiophen-2-ylpyrazol-5-yl)methanamine
SMILESNCc1cc(-c2cccs2)nn1C1CCCC1
InChIInChI=1S/C13H17N3S/c14-9-11-8-12(13-6-3-7-17-13)15-16(11)10-4-1-2-5-10/h3,6-8,10H,1-2,4-5,9,14H2
InChIKeyWKVIDCJDTYIWEO-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.19
Rot. Bonds3

About (1-cyclopentyl-3-thiophen-2-ylpyrazol-5-yl)methanamine

(1-cyclopentyl-3-thiophen-2-ylpyrazol-5-yl)methanamine (PubChem CID 91623969) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is (1-cyclopentyl-3-thiophen-2-ylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(1-cyclopentyl-3-thiophen-2-ylpyrazol-5-yl)methanamine
PubChem CID91623969
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name(1-cyclopentyl-3-thiophen-2-ylpyrazol-5-yl)methanamine
SMILESNCc1cc(-c2cccs2)nn1C1CCCC1
InChIInChI=1S/C13H17N3S/c14-9-11-8-12(13-6-3-7-17-13)15-16(11)10-4-1-2-5-10/h3,6-8,10H,1-2,4-5,9,14H2
InChIKeyWKVIDCJDTYIWEO-UHFFFAOYSA-N
XLogP3.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-cyclopentyl-3-thiophen-2-ylpyrazol-5-yl)methanamine?
The IUPAC name of (1-cyclopentyl-3-thiophen-2-ylpyrazol-5-yl)methanamine (CID 91623969) is (1-cyclopentyl-3-thiophen-2-ylpyrazol-5-yl)methanamine.
What is the SMILES notation for (1-cyclopentyl-3-thiophen-2-ylpyrazol-5-yl)methanamine?
The canonical SMILES for (1-cyclopentyl-3-thiophen-2-ylpyrazol-5-yl)methanamine is NCc1cc(-c2cccs2)nn1C1CCCC1.
What is the InChIKey of (1-cyclopentyl-3-thiophen-2-ylpyrazol-5-yl)methanamine?
The InChIKey is WKVIDCJDTYIWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c14-9-11-8-12(13-6-3-7-17-13)15-16(11)10-4-1-2-5-10/h3,6-8,10H,1-2,4-5,9,14H2.
What are the key properties of (1-cyclopentyl-3-thiophen-2-ylpyrazol-5-yl)methanamine?
(1-cyclopentyl-3-thiophen-2-ylpyrazol-5-yl)methanamine has a molecular weight of 247.37 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopentyl-3-thiophen-2-ylpyrazol-5-yl)methanamine is sourced from PubChem (CID 91623969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).