1-[1-(2-cyclopentylethyl)pyrazol-4-yl]-N-ethylpropan-1-amine

C15H27N3 — CID 114192598

IUPAC1-[1-(2-cyclopentylethyl)pyrazol-4-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1cnn(CCC2CCCC2)c1
InChIInChI=1S/C15H27N3/c1-3-15(16-4-2)14-11-17-18(12-14)10-9-13-7-5-6-8-13/h11-13,15-16H,3-10H2,1-2H3
InChIKeyMIMVOMGWEBNKOG-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.52
Rot. Bonds7

About 1-[1-(2-cyclopentylethyl)pyrazol-4-yl]-N-ethylpropan-1-amine

1-[1-(2-cyclopentylethyl)pyrazol-4-yl]-N-ethylpropan-1-amine (PubChem CID 114192598) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-[1-(2-cyclopentylethyl)pyrazol-4-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[1-(2-cyclopentylethyl)pyrazol-4-yl]-N-ethylpropan-1-amine
PubChem CID114192598
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-[1-(2-cyclopentylethyl)pyrazol-4-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1cnn(CCC2CCCC2)c1
InChIInChI=1S/C15H27N3/c1-3-15(16-4-2)14-11-17-18(12-14)10-9-13-7-5-6-8-13/h11-13,15-16H,3-10H2,1-2H3
InChIKeyMIMVOMGWEBNKOG-UHFFFAOYSA-N
XLogP3.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 115807398
1-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 62730353
1-[1-(2-ethoxyethyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62731441
N-ethyl-1-[1-(2-methylsulfonylethyl)pyrazol-4-yl]propan-1-amine
CID 62729799
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62731794
[3-cyclopentyl-1-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 105288733
2-cyclobutyl-1-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 103168314
N-ethyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-amine
CID 62729985
3-cyclopentyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105038705
2-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43485883
[1-(2-cyclohexylethyl)pyrazol-4-yl]methanamine
CID 146194383
3-cyclopentyl-N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-amine
CID 105047094

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-cyclopentylethyl)pyrazol-4-yl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[1-(2-cyclopentylethyl)pyrazol-4-yl]-N-ethylpropan-1-amine (CID 114192598) is 1-[1-(2-cyclopentylethyl)pyrazol-4-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[1-(2-cyclopentylethyl)pyrazol-4-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[1-(2-cyclopentylethyl)pyrazol-4-yl]-N-ethylpropan-1-amine is CCNC(CC)c1cnn(CCC2CCCC2)c1.
What is the InChIKey of 1-[1-(2-cyclopentylethyl)pyrazol-4-yl]-N-ethylpropan-1-amine?
The InChIKey is MIMVOMGWEBNKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-15(16-4-2)14-11-17-18(12-14)10-9-13-7-5-6-8-13/h11-13,15-16H,3-10H2,1-2H3.
What are the key properties of 1-[1-(2-cyclopentylethyl)pyrazol-4-yl]-N-ethylpropan-1-amine?
1-[1-(2-cyclopentylethyl)pyrazol-4-yl]-N-ethylpropan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-cyclopentylethyl)pyrazol-4-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 114192598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).