5-(1-cyclopentylpyrazol-3-yl)-4-methyl-N-propylpent-3-en-1-amine

C17H29N3 — CID 79599253

IUPAC5-(1-cyclopentylpyrazol-3-yl)-4-methyl-N-propylpent-3-en-1-amine
SMILESCCCNCCC=C(C)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C17H29N3/c1-3-11-18-12-6-7-15(2)14-16-10-13-20(19-16)17-8-4-5-9-17/h7,10,13,17-18H,3-6,8-9,11-12,14H2,1-2H3
InChIKeyAXWRQUILJPXRBD-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.88
Rot. Bonds8

About 5-(1-cyclopentylpyrazol-3-yl)-4-methyl-N-propylpent-3-en-1-amine

5-(1-cyclopentylpyrazol-3-yl)-4-methyl-N-propylpent-3-en-1-amine (PubChem CID 79599253) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 5-(1-cyclopentylpyrazol-3-yl)-4-methyl-N-propylpent-3-en-1-amine.

Molecular Properties

Compound Name5-(1-cyclopentylpyrazol-3-yl)-4-methyl-N-propylpent-3-en-1-amine
PubChem CID79599253
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name5-(1-cyclopentylpyrazol-3-yl)-4-methyl-N-propylpent-3-en-1-amine
SMILESCCCNCCC=C(C)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C17H29N3/c1-3-11-18-12-6-7-15(2)14-16-10-13-20(19-16)17-8-4-5-9-17/h7,10,13,17-18H,3-6,8-9,11-12,14H2,1-2H3
InChIKeyAXWRQUILJPXRBD-UHFFFAOYSA-N
XLogP3.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(1-cyclopentylpyrazol-3-yl)-4-methyl-N-propylpent-3-en-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

5-(1-cyclohexylpyrazol-3-yl)-N,4-dimethylpent-3-en-1-amine
CID 79598946
3-(5-chloro-2-methylpent-2-enyl)-1-cyclohexylpyrazole
CID 79590236
(Z)-4-methyl-5-(1-methylpyrazol-3-yl)-N-propylpent-3-en-1-amine
CID 82881878
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine
CID 64777182
N-[[2-[(1-cyclopentylpyrazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81017300
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66405542
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
1-cyclohexyl-3-ethylpyrazole
CID 66014335
2-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3-dimethyl-N-propylbutan-1-amine
CID 83150826
N-[(1-cyclohexylpyrazol-3-yl)methyl]hexan-1-amine
CID 64799565
1-(1-cyclohexylpyrazol-3-yl)hexan-2-one
CID 79405981
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]ethanamine
CID 64776990

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopentylpyrazol-3-yl)-4-methyl-N-propylpent-3-en-1-amine?
The IUPAC name of 5-(1-cyclopentylpyrazol-3-yl)-4-methyl-N-propylpent-3-en-1-amine (CID 79599253) is 5-(1-cyclopentylpyrazol-3-yl)-4-methyl-N-propylpent-3-en-1-amine.
What is the SMILES notation for 5-(1-cyclopentylpyrazol-3-yl)-4-methyl-N-propylpent-3-en-1-amine?
The canonical SMILES for 5-(1-cyclopentylpyrazol-3-yl)-4-methyl-N-propylpent-3-en-1-amine is CCCNCCC=C(C)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 5-(1-cyclopentylpyrazol-3-yl)-4-methyl-N-propylpent-3-en-1-amine?
The InChIKey is AXWRQUILJPXRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-11-18-12-6-7-15(2)14-16-10-13-20(19-16)17-8-4-5-9-17/h7,10,13,17-18H,3-6,8-9,11-12,14H2,1-2H3.
What are the key properties of 5-(1-cyclopentylpyrazol-3-yl)-4-methyl-N-propylpent-3-en-1-amine?
5-(1-cyclopentylpyrazol-3-yl)-4-methyl-N-propylpent-3-en-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopentylpyrazol-3-yl)-4-methyl-N-propylpent-3-en-1-amine is sourced from PubChem (CID 79599253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).