3-(1-cyclopentylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine

C18H25N3 — CID 79423832

IUPAC3-(1-cyclopentylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1C(CN)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C18H25N3/c1-14-6-2-5-9-18(14)15(13-19)12-16-10-11-21(20-16)17-7-3-4-8-17/h2,5-6,9-11,15,17H,3-4,7-8,12-13,19H2,1H3
InChIKeyDICBFTJNDBZSSG-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.59
Rot. Bonds5

About 3-(1-cyclopentylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine

3-(1-cyclopentylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine (PubChem CID 79423832) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-(1-cyclopentylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(1-cyclopentylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine
PubChem CID79423832
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name3-(1-cyclopentylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1C(CN)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C18H25N3/c1-14-6-2-5-9-18(14)15(13-19)12-16-10-11-21(20-16)17-7-3-4-8-17/h2,5-6,9-11,15,17H,3-4,7-8,12-13,19H2,1H3
InChIKeyDICBFTJNDBZSSG-UHFFFAOYSA-N
XLogP3.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine?
The IUPAC name of 3-(1-cyclopentylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine (CID 79423832) is 3-(1-cyclopentylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(1-cyclopentylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(1-cyclopentylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine is Cc1ccccc1C(CN)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 3-(1-cyclopentylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine?
The InChIKey is DICBFTJNDBZSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-14-6-2-5-9-18(14)15(13-19)12-16-10-11-21(20-16)17-7-3-4-8-17/h2,5-6,9-11,15,17H,3-4,7-8,12-13,19H2,1H3.
What are the key properties of 3-(1-cyclopentylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine?
3-(1-cyclopentylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopentylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 79423832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).