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

C18H25N3 — CID 64799138

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)NCc2ccn(C3CCCC3)n2)cc1
InChIInChI=1S/C18H25N3/c1-14-7-9-16(10-8-14)15(2)19-13-17-11-12-21(20-17)18-5-3-4-6-18/h7-12,15,18-19H,3-6,13H2,1-2H3
InChIKeyIARLRAZIBNXVBW-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.16
Rot. Bonds5

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

N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine (PubChem CID 64799138) 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-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine
PubChem CID64799138
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)NCc2ccn(C3CCCC3)n2)cc1
InChIInChI=1S/C18H25N3/c1-14-7-9-16(10-8-14)15(2)19-13-17-11-12-21(20-17)18-5-3-4-6-18/h7-12,15,18-19H,3-6,13H2,1-2H3
InChIKeyIARLRAZIBNXVBW-UHFFFAOYSA-N
XLogP4.16
TPSA29.85 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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 64799108
N-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine
CID 64801770
N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylaniline
CID 19626027
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)methanamine
CID 64801405
2-[(1-cyclopentylpyrazol-3-yl)methylamino]propanamide
CID 64800847
N-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine
CID 64799267
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methoxypropan-2-amine
CID 64800620
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(2-ethylpyrazol-3-yl)ethanamine
CID 19625592
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 64801249
N-[(1-cyclopentylpyrazol-3-yl)methyl]heptan-2-amine
CID 64801633
(1S)-1-(4-methylphenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
CID 81349612
methyl 2-[(1-cyclohexylpyrazol-3-yl)methylamino]propanoate
CID 64800870

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine (CID 64799138) is N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine is Cc1ccc(C(C)NCc2ccn(C3CCCC3)n2)cc1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine?
The InChIKey is IARLRAZIBNXVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-14-7-9-16(10-8-14)15(2)19-13-17-11-12-21(20-17)18-5-3-4-6-18/h7-12,15,18-19H,3-6,13H2,1-2H3.
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine?
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine has a molecular weight of 283.42 g/mol, XLogP of 4.16, 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)ethanamine is sourced from PubChem (CID 64799138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).