N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(3-methylphenyl)ethanamine

C18H25N3 — CID 64801659

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CCNCc2ccn(C3CCCC3)n2)c1
InChIInChI=1S/C18H25N3/c1-15-5-4-6-16(13-15)9-11-19-14-17-10-12-21(20-17)18-7-2-3-8-18/h4-6,10,12-13,18-19H,2-3,7-9,11,14H2,1H3
InChIKeyFXLKVCINRSTVSM-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.64
Rot. Bonds6

About N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(3-methylphenyl)ethanamine

N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(3-methylphenyl)ethanamine (PubChem CID 64801659) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(3-methylphenyl)ethanamine
PubChem CID64801659
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CCNCc2ccn(C3CCCC3)n2)c1
InChIInChI=1S/C18H25N3/c1-15-5-4-6-16(13-15)9-11-19-14-17-10-12-21(20-17)18-7-2-3-8-18/h4-6,10,12-13,18-19H,2-3,7-9,11,14H2,1H3
InChIKeyFXLKVCINRSTVSM-UHFFFAOYSA-N
XLogP3.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine
CID 64800466
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine
CID 64800659
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)methanamine
CID 64801405
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-thiophen-3-ylethanamine
CID 64801637
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2-fluorophenyl)ethanamine
CID 64799852
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-ethylphenyl)methanamine
CID 103816376
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 106416318
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(furan-2-yl)ethanamine
CID 64799703
N-[(1-cyclohexylpyrazol-3-yl)methyl]hexan-1-amine
CID 64799565
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 64800285
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine
CID 64777182

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(3-methylphenyl)ethanamine?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(3-methylphenyl)ethanamine (CID 64801659) is N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(3-methylphenyl)ethanamine?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(3-methylphenyl)ethanamine is Cc1cccc(CCNCc2ccn(C3CCCC3)n2)c1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(3-methylphenyl)ethanamine?
The InChIKey is FXLKVCINRSTVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-15-5-4-6-16(13-15)9-11-19-14-17-10-12-21(20-17)18-7-2-3-8-18/h4-6,10,12-13,18-19H,2-3,7-9,11,14H2,1H3.
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(3-methylphenyl)ethanamine?
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(3-methylphenyl)ethanamine has a molecular weight of 283.42 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 64801659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).