3-cyclopentyl-N-[(1-phenylpyrazol-3-yl)methyl]propan-1-amine

C18H25N3 — CID 106008498

IUPAC3-cyclopentyl-N-[(1-phenylpyrazol-3-yl)methyl]propan-1-amine
SMILESc1ccc(-n2ccc(CNCCCC3CCCC3)n2)cc1
InChIInChI=1S/C18H25N3/c1-2-10-18(11-3-1)21-14-12-17(20-21)15-19-13-6-9-16-7-4-5-8-16/h1-3,10-12,14,16,19H,4-9,13,15H2
InChIKeyVYOKXARGDHRDPP-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.93
Rot. Bonds7

About 3-cyclopentyl-N-[(1-phenylpyrazol-3-yl)methyl]propan-1-amine

3-cyclopentyl-N-[(1-phenylpyrazol-3-yl)methyl]propan-1-amine (PubChem CID 106008498) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-cyclopentyl-N-[(1-phenylpyrazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-N-[(1-phenylpyrazol-3-yl)methyl]propan-1-amine
PubChem CID106008498
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name3-cyclopentyl-N-[(1-phenylpyrazol-3-yl)methyl]propan-1-amine
SMILESc1ccc(-n2ccc(CNCCCC3CCCC3)n2)cc1
InChIInChI=1S/C18H25N3/c1-2-10-18(11-3-1)21-14-12-17(20-21)15-19-13-6-9-16-7-4-5-8-16/h1-3,10-12,14,16,19H,4-9,13,15H2
InChIKeyVYOKXARGDHRDPP-UHFFFAOYSA-N
XLogP3.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-cyclopentyl-N-[(1-phenylpyrazol-3-yl)methyl]propan-1-amine 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

4-[(1-phenylpyrazol-3-yl)methylamino]butanoic acid
CID 55127369
4-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 106126263
3-methyl-N-[(1-phenylpyrazol-3-yl)methyl]butan-1-amine
CID 62887084
3-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]propan-1-amine
CID 115639415
N',N'-diethyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 62887436
3-cyclopentyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 103698449
N-[(1-phenylpyrazol-3-yl)methyl]piperidin-1-amine
CID 83013966
N-[(1-phenylpyrazol-3-yl)methyl]thian-4-amine
CID 115595875
3-cyclopentyl-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 114136937
2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]prop-2-en-1-amine
CID 114615905
2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]cyclopropan-1-amine
CID 62887093
2-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]ethanamine
CID 63332874

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[(1-phenylpyrazol-3-yl)methyl]propan-1-amine?
The IUPAC name of 3-cyclopentyl-N-[(1-phenylpyrazol-3-yl)methyl]propan-1-amine (CID 106008498) is 3-cyclopentyl-N-[(1-phenylpyrazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-cyclopentyl-N-[(1-phenylpyrazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for 3-cyclopentyl-N-[(1-phenylpyrazol-3-yl)methyl]propan-1-amine is c1ccc(-n2ccc(CNCCCC3CCCC3)n2)cc1.
What is the InChIKey of 3-cyclopentyl-N-[(1-phenylpyrazol-3-yl)methyl]propan-1-amine?
The InChIKey is VYOKXARGDHRDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-2-10-18(11-3-1)21-14-12-17(20-21)15-19-13-6-9-16-7-4-5-8-16/h1-3,10-12,14,16,19H,4-9,13,15H2.
What are the key properties of 3-cyclopentyl-N-[(1-phenylpyrazol-3-yl)methyl]propan-1-amine?
3-cyclopentyl-N-[(1-phenylpyrazol-3-yl)methyl]propan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[(1-phenylpyrazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 106008498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).