N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)methanamine

C17H23N3 — CID 64801405

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CNCc2ccn(C3CCCC3)n2)cc1
InChIInChI=1S/C17H23N3/c1-14-6-8-15(9-7-14)12-18-13-16-10-11-20(19-16)17-4-2-3-5-17/h6-11,17-18H,2-5,12-13H2,1H3
InChIKeyUBAWQVQLTSHFET-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.60
Rot. Bonds5

About N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)methanamine

N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)methanamine (PubChem CID 64801405) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)methanamine
PubChem CID64801405
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CNCc2ccn(C3CCCC3)n2)cc1
InChIInChI=1S/C17H23N3/c1-14-6-8-15(9-7-14)12-18-13-16-10-11-20(19-16)17-4-2-3-5-17/h6-11,17-18H,2-5,12-13H2,1H3
InChIKeyUBAWQVQLTSHFET-UHFFFAOYSA-N
XLogP3.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-ethylphenyl)methanamine
CID 103816376
N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylaniline
CID 19626027
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(3,4-difluorophenyl)methanamine
CID 64801065
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 64799138
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(3-methylphenyl)ethanamine
CID 64801659
1-(1-cyclopentylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 64801052
1-(1-cyclopentylpyrazol-3-yl)-N-[(5-ethylthiophen-2-yl)methyl]methanamine
CID 103816375
1-(1-cyclohexylpyrazol-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106373039
1-(1-cyclohexylpyrazol-3-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 106044924
N-[(2-chlorophenyl)methyl]-1-(1-cyclopentylpyrazol-3-yl)methanamine
CID 64801008
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2-dimethylbutan-1-amine
CID 103461395
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]ethanamine
CID 64776990

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)methanamine?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)methanamine (CID 64801405) is N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)methanamine.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)methanamine?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)methanamine is Cc1ccc(CNCc2ccn(C3CCCC3)n2)cc1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)methanamine?
The InChIKey is UBAWQVQLTSHFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-14-6-8-15(9-7-14)12-18-13-16-10-11-20(19-16)17-4-2-3-5-17/h6-11,17-18H,2-5,12-13H2,1H3.
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)methanamine?
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)methanamine has a molecular weight of 269.39 g/mol, XLogP of 3.60, 5 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]-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 64801405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).