1-(1-cyclopentylpyrazol-3-yl)-2-(4-methylphenyl)propan-2-amine

C18H25N3 — CID 64784289

IUPAC1-(1-cyclopentylpyrazol-3-yl)-2-(4-methylphenyl)propan-2-amine
SMILESCc1ccc(C(C)(N)Cc2ccn(C3CCCC3)n2)cc1
InChIInChI=1S/C18H25N3/c1-14-7-9-15(10-8-14)18(2,19)13-16-11-12-21(20-16)17-5-3-4-6-17/h7-12,17H,3-6,13,19H2,1-2H3
InChIKeyPUQITGJJRYPEBU-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.72
Rot. Bonds4

About 1-(1-cyclopentylpyrazol-3-yl)-2-(4-methylphenyl)propan-2-amine

1-(1-cyclopentylpyrazol-3-yl)-2-(4-methylphenyl)propan-2-amine (PubChem CID 64784289) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrazol-3-yl)-2-(4-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(1-cyclopentylpyrazol-3-yl)-2-(4-methylphenyl)propan-2-amine
PubChem CID64784289
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name1-(1-cyclopentylpyrazol-3-yl)-2-(4-methylphenyl)propan-2-amine
SMILESCc1ccc(C(C)(N)Cc2ccn(C3CCCC3)n2)cc1
InChIInChI=1S/C18H25N3/c1-14-7-9-15(10-8-14)18(2,19)13-16-11-12-21(20-16)17-5-3-4-6-17/h7-12,17H,3-6,13,19H2,1-2H3
InChIKeyPUQITGJJRYPEBU-UHFFFAOYSA-N
XLogP3.72
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylaniline
CID 19626027
2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-1-amine
CID 64779672
1-[(1-cyclopentylpyrazol-3-yl)methoxy]-2-methylpropan-2-amine
CID 64784388
3-(3-bromo-2,2-dimethylpropyl)-1-cyclohexylpyrazole
CID 66050139
1-[(1-cyclohexylpyrazol-3-yl)methoxy]-2-methylpropan-2-amine
CID 64784196
2-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylbutanenitrile
CID 65377026
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)methanamine
CID 64801405
2-(aminomethyl)-3-(1-cyclohexylpyrazol-3-yl)-2-methylpropanoic acid
CID 106487284
3-(1-cyclopentylpyrazol-3-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 64777905
1-[(1-cyclohexylpyrazol-3-yl)methoxy]-2-methylbutan-2-amine
CID 64785357
1-cyclohexyl-3-ethylpyrazole
CID 66014335
3-[(1-cyclohexylpyrazol-3-yl)methoxymethyl]pentan-3-amine
CID 64784969

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-2-(4-methylphenyl)propan-2-amine?
The IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-2-(4-methylphenyl)propan-2-amine (CID 64784289) is 1-(1-cyclopentylpyrazol-3-yl)-2-(4-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(1-cyclopentylpyrazol-3-yl)-2-(4-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(1-cyclopentylpyrazol-3-yl)-2-(4-methylphenyl)propan-2-amine is Cc1ccc(C(C)(N)Cc2ccn(C3CCCC3)n2)cc1.
What is the InChIKey of 1-(1-cyclopentylpyrazol-3-yl)-2-(4-methylphenyl)propan-2-amine?
The InChIKey is PUQITGJJRYPEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-14-7-9-15(10-8-14)18(2,19)13-16-11-12-21(20-16)17-5-3-4-6-17/h7-12,17H,3-6,13,19H2,1-2H3.
What are the key properties of 1-(1-cyclopentylpyrazol-3-yl)-2-(4-methylphenyl)propan-2-amine?
1-(1-cyclopentylpyrazol-3-yl)-2-(4-methylphenyl)propan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrazol-3-yl)-2-(4-methylphenyl)propan-2-amine is sourced from PubChem (CID 64784289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).