1-(2-methylpyrazol-3-yl)-N-propyloctan-1-amine

C15H29N3 — CID 115858544

IUPAC1-(2-methylpyrazol-3-yl)-N-propyloctan-1-amine
SMILESCCCCCCCC(NCCC)c1ccnn1C
InChIInChI=1S/C15H29N3/c1-4-6-7-8-9-10-14(16-12-5-2)15-11-13-17-18(15)3/h11,13-14,16H,4-10,12H2,1-3H3
InChIKeyGPLROHWJWVHBIS-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.82
Rot. Bonds10

About 1-(2-methylpyrazol-3-yl)-N-propyloctan-1-amine

1-(2-methylpyrazol-3-yl)-N-propyloctan-1-amine (PubChem CID 115858544) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)-N-propyloctan-1-amine.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)-N-propyloctan-1-amine
PubChem CID115858544
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-(2-methylpyrazol-3-yl)-N-propyloctan-1-amine
SMILESCCCCCCCC(NCCC)c1ccnn1C
InChIInChI=1S/C15H29N3/c1-4-6-7-8-9-10-14(16-12-5-2)15-11-13-17-18(15)3/h11,13-14,16H,4-10,12H2,1-3H3
InChIKeyGPLROHWJWVHBIS-UHFFFAOYSA-N
XLogP3.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-methylpyrazol-3-yl)-N-propyloctan-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

1-(2-methylpyrazol-3-yl)-N-propylpentan-1-amine
CID 79411759
N-methyl-1-(2-methylpyrazol-3-yl)undecan-1-amine
CID 105138251
1-(2-methylpyrazol-3-yl)dodecylhydrazine
CID 105307363
1-(2-methylpyrazol-3-yl)-N-propylhex-5-en-1-amine
CID 105153281
3-cyclopropyl-1-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 105157948
N-[1-(2-methylpyrazol-3-yl)-2-methylsulfanylethyl]propan-1-amine
CID 63962229
1-methyl-5-octan-2-ylpyrazole
CID 135218459
1-(3-methyltriazol-4-yl)-N-propylheptan-1-amine
CID 105043647
N-[1-(2-methylpyrazol-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 63960985
1-(2-methylpyrazol-3-yl)hexan-1-ol
CID 63960741
N-[2-tert-butylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 65132859
N-[2-cyclopentylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 65140370

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)-N-propyloctan-1-amine?
The IUPAC name of 1-(2-methylpyrazol-3-yl)-N-propyloctan-1-amine (CID 115858544) is 1-(2-methylpyrazol-3-yl)-N-propyloctan-1-amine.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)-N-propyloctan-1-amine?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)-N-propyloctan-1-amine is CCCCCCCC(NCCC)c1ccnn1C.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)-N-propyloctan-1-amine?
The InChIKey is GPLROHWJWVHBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-4-6-7-8-9-10-14(16-12-5-2)15-11-13-17-18(15)3/h11,13-14,16H,4-10,12H2,1-3H3.
What are the key properties of 1-(2-methylpyrazol-3-yl)-N-propyloctan-1-amine?
1-(2-methylpyrazol-3-yl)-N-propyloctan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 3.82, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)-N-propyloctan-1-amine is sourced from PubChem (CID 115858544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).