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

C18H25N3 — CID 103816376

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-ethylphenyl)methanamine
SMILESCCc1ccc(CNCc2ccn(C3CCCC3)n2)cc1
InChIInChI=1S/C18H25N3/c1-2-15-7-9-16(10-8-15)13-19-14-17-11-12-21(20-17)18-5-3-4-6-18/h7-12,18-19H,2-6,13-14H2,1H3
InChIKeyZWXVADUGQYODHQ-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.85
Rot. Bonds6

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

N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-ethylphenyl)methanamine (PubChem CID 103816376) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-ethylphenyl)methanamine.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-ethylphenyl)methanamine
PubChem CID103816376
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-ethylphenyl)methanamine
SMILESCCc1ccc(CNCc2ccn(C3CCCC3)n2)cc1
InChIInChI=1S/C18H25N3/c1-2-15-7-9-16(10-8-15)13-19-14-17-11-12-21(20-17)18-5-3-4-6-18/h7-12,18-19H,2-6,13-14H2,1H3
InChIKeyZWXVADUGQYODHQ-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)methanamine
CID 64801405
1-(1-cyclopentylpyrazol-3-yl)-N-[(5-ethylthiophen-2-yl)methyl]methanamine
CID 103816375
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(3,4-difluorophenyl)methanamine
CID 64801065
2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-ethylpentan-1-amine
CID 106286304
1-(1-cyclopentylpyrazol-3-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine
CID 115885808
1-cyclohexyl-3-ethylpyrazole
CID 66014335
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]ethanamine
CID 64776990
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2-dimethylbutan-1-amine
CID 103461395
N-[(1-cyclohexylpyrazol-3-yl)methyl]hexan-1-amine
CID 64799565
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine
CID 64777182
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(3-methylphenyl)ethanamine
CID 64801659
N-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine
CID 64801770

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-ethylphenyl)methanamine?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-ethylphenyl)methanamine (CID 103816376) is N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-ethylphenyl)methanamine.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-ethylphenyl)methanamine?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-ethylphenyl)methanamine is CCc1ccc(CNCc2ccn(C3CCCC3)n2)cc1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-ethylphenyl)methanamine?
The InChIKey is ZWXVADUGQYODHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-2-15-7-9-16(10-8-15)13-19-14-17-11-12-21(20-17)18-5-3-4-6-18/h7-12,18-19H,2-6,13-14H2,1H3.
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-ethylphenyl)methanamine?
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-ethylphenyl)methanamine has a molecular weight of 283.42 g/mol, XLogP of 3.85, 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]-1-(4-ethylphenyl)methanamine is sourced from PubChem (CID 103816376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).