1-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine

C15H27N3 — CID 62730353

IUPAC1-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1cnn(CC2CCCC2)c1
InChIInChI=1S/C15H27N3/c1-3-9-16-15(4-2)14-10-17-18(12-14)11-13-7-5-6-8-13/h10,12-13,15-16H,3-9,11H2,1-2H3
InChIKeyYPAANTCFXSEOSU-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.52
Rot. Bonds7

About 1-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine

1-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine (PubChem CID 62730353) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine
PubChem CID62730353
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1cnn(CC2CCCC2)c1
InChIInChI=1S/C15H27N3/c1-3-9-16-15(4-2)14-10-17-18(12-14)11-13-7-5-6-8-13/h10,12-13,15-16H,3-9,11H2,1-2H3
InChIKeyYPAANTCFXSEOSU-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

1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248
1-[1-(2-cyclopentylethyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 114192598
1-[1-(cyclohexylmethyl)pyrazol-4-yl]ethanol
CID 62729638
2-cyclopentyl-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 115807398
1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-propylpropan-1-amine
CID 62731798
1-[1-(2-phenylethyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 62731623
1-[1-(3,5-dimethylcyclohexyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 64730349
1-[1-(cyclopropylmethyl)pyrazol-4-yl]propan-1-ol
CID 62732009
1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-1-amine
CID 115816153
1-[1-[2-(3-methylbutoxy)ethyl]pyrazol-4-yl]-N-propylpropan-1-amine
CID 62730531
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115816163
1-[1-(cyclopentylmethyl)pyrazol-4-yl]ethanone
CID 62727814

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine?
The IUPAC name of 1-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine (CID 62730353) is 1-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine is CCCNC(CC)c1cnn(CC2CCCC2)c1.
What is the InChIKey of 1-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine?
The InChIKey is YPAANTCFXSEOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-9-16-15(4-2)14-10-17-18(12-14)11-13-7-5-6-8-13/h10,12-13,15-16H,3-9,11H2,1-2H3.
What are the key properties of 1-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine?
1-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-propylpropan-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-(cyclopentylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 62730353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).