[2-[(1-cyclopentylpyrazol-3-yl)methoxy]-5-methylphenyl]methanamine

C17H23N3O — CID 64800598

IUPAC[2-[(1-cyclopentylpyrazol-3-yl)methoxy]-5-methylphenyl]methanamine
SMILESCc1ccc(OCc2ccn(C3CCCC3)n2)c(CN)c1
InChIInChI=1S/C17H23N3O/c1-13-6-7-17(14(10-13)11-18)21-12-15-8-9-20(19-15)16-4-2-3-5-16/h6-10,16H,2-5,11-12,18H2,1H3
InChIKeyOFVRFPQGAPBBQL-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.34
Rot. Bonds5

About [2-[(1-cyclopentylpyrazol-3-yl)methoxy]-5-methylphenyl]methanamine

[2-[(1-cyclopentylpyrazol-3-yl)methoxy]-5-methylphenyl]methanamine (PubChem CID 64800598) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [2-[(1-cyclopentylpyrazol-3-yl)methoxy]-5-methylphenyl]methanamine.

Molecular Properties

Compound Name[2-[(1-cyclopentylpyrazol-3-yl)methoxy]-5-methylphenyl]methanamine
PubChem CID64800598
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[2-[(1-cyclopentylpyrazol-3-yl)methoxy]-5-methylphenyl]methanamine
SMILESCc1ccc(OCc2ccn(C3CCCC3)n2)c(CN)c1
InChIInChI=1S/C17H23N3O/c1-13-6-7-17(14(10-13)11-18)21-12-15-8-9-20(19-15)16-4-2-3-5-16/h6-10,16H,2-5,11-12,18H2,1H3
InChIKeyOFVRFPQGAPBBQL-UHFFFAOYSA-N
XLogP3.34
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(1-cyclopentylpyrazol-3-yl)methoxy]-5-methylphenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(1-cyclopentylpyrazol-3-yl)methoxy]-5-methylphenyl]methanol
CID 64785535
[3-chloro-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 64801737
[3-bromo-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 64800020
1-cyclohexyl-3-[(2-ethylphenoxy)methyl]pyrazole
CID 64779347
3-[[2-(chloromethyl)phenoxy]methyl]-1-cyclohexylpyrazole
CID 64784762
3-[[4-(bromomethyl)-2-chlorophenoxy]methyl]-1-cyclopentylpyrazole
CID 64785349
3-[(2-bromo-4-fluorophenoxy)methyl]-1-cyclohexylpyrazole
CID 64801690
5-bromo-2-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile
CID 80962290
3-[(1-cyclohexylpyrazol-3-yl)methoxy]-6-fluoropyridine-2-carbonitrile
CID 167879327
3-bromo-5-[(1-cyclopentylpyrazol-3-yl)methoxy]aniline
CID 103588284
1-[(1-cyclopentylpyrazol-3-yl)methoxy]-2-methylpropan-2-amine
CID 64784388
2-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]-5-methylaniline
CID 64785127

Frequently Asked Questions

What is the IUPAC name of [2-[(1-cyclopentylpyrazol-3-yl)methoxy]-5-methylphenyl]methanamine?
The IUPAC name of [2-[(1-cyclopentylpyrazol-3-yl)methoxy]-5-methylphenyl]methanamine (CID 64800598) is [2-[(1-cyclopentylpyrazol-3-yl)methoxy]-5-methylphenyl]methanamine.
What is the SMILES notation for [2-[(1-cyclopentylpyrazol-3-yl)methoxy]-5-methylphenyl]methanamine?
The canonical SMILES for [2-[(1-cyclopentylpyrazol-3-yl)methoxy]-5-methylphenyl]methanamine is Cc1ccc(OCc2ccn(C3CCCC3)n2)c(CN)c1.
What is the InChIKey of [2-[(1-cyclopentylpyrazol-3-yl)methoxy]-5-methylphenyl]methanamine?
The InChIKey is OFVRFPQGAPBBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-6-7-17(14(10-13)11-18)21-12-15-8-9-20(19-15)16-4-2-3-5-16/h6-10,16H,2-5,11-12,18H2,1H3.
What are the key properties of [2-[(1-cyclopentylpyrazol-3-yl)methoxy]-5-methylphenyl]methanamine?
[2-[(1-cyclopentylpyrazol-3-yl)methoxy]-5-methylphenyl]methanamine has a molecular weight of 285.39 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-cyclopentylpyrazol-3-yl)methoxy]-5-methylphenyl]methanamine is sourced from PubChem (CID 64800598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).