[3-(4-cyclopentyloxyphenyl)-1H-pyrazol-5-yl]methanamine

C15H19N3O — CID 82483039

IUPAC[3-(4-cyclopentyloxyphenyl)-1H-pyrazol-5-yl]methanamine
SMILESNCc1cc(-c2ccc(OC3CCCC3)cc2)n[nH]1
InChIInChI=1S/C15H19N3O/c16-10-12-9-15(18-17-12)11-5-7-14(8-6-11)19-13-3-1-2-4-13/h5-9,13H,1-4,10,16H2,(H,17,18)
InChIKeyDJXKCZSEUCOTLZ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.86
Rot. Bonds4

About [3-(4-cyclopentyloxyphenyl)-1H-pyrazol-5-yl]methanamine

[3-(4-cyclopentyloxyphenyl)-1H-pyrazol-5-yl]methanamine (PubChem CID 82483039) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is [3-(4-cyclopentyloxyphenyl)-1H-pyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(4-cyclopentyloxyphenyl)-1H-pyrazol-5-yl]methanamine
PubChem CID82483039
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name[3-(4-cyclopentyloxyphenyl)-1H-pyrazol-5-yl]methanamine
SMILESNCc1cc(-c2ccc(OC3CCCC3)cc2)n[nH]1
InChIInChI=1S/C15H19N3O/c16-10-12-9-15(18-17-12)11-5-7-14(8-6-11)19-13-3-1-2-4-13/h5-9,13H,1-4,10,16H2,(H,17,18)
InChIKeyDJXKCZSEUCOTLZ-UHFFFAOYSA-N
XLogP2.86
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-cyclopentyloxyphenyl)-1H-pyrazol-5-yl]methanamine?
The IUPAC name of [3-(4-cyclopentyloxyphenyl)-1H-pyrazol-5-yl]methanamine (CID 82483039) is [3-(4-cyclopentyloxyphenyl)-1H-pyrazol-5-yl]methanamine.
What is the SMILES notation for [3-(4-cyclopentyloxyphenyl)-1H-pyrazol-5-yl]methanamine?
The canonical SMILES for [3-(4-cyclopentyloxyphenyl)-1H-pyrazol-5-yl]methanamine is NCc1cc(-c2ccc(OC3CCCC3)cc2)n[nH]1.
What is the InChIKey of [3-(4-cyclopentyloxyphenyl)-1H-pyrazol-5-yl]methanamine?
The InChIKey is DJXKCZSEUCOTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-10-12-9-15(18-17-12)11-5-7-14(8-6-11)19-13-3-1-2-4-13/h5-9,13H,1-4,10,16H2,(H,17,18).
What are the key properties of [3-(4-cyclopentyloxyphenyl)-1H-pyrazol-5-yl]methanamine?
[3-(4-cyclopentyloxyphenyl)-1H-pyrazol-5-yl]methanamine has a molecular weight of 257.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-cyclopentyloxyphenyl)-1H-pyrazol-5-yl]methanamine is sourced from PubChem (CID 82483039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).