1-(2,5-dimethylpyrazol-3-yl)-3-methylidene-N-propylpentan-1-amine

C14H25N3 — CID 105164051

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-methylidene-N-propylpentan-1-amine
SMILESC=C(CC)CC(NCCC)c1cc(C)nn1C
InChIInChI=1S/C14H25N3/c1-6-8-15-13(9-11(3)7-2)14-10-12(4)16-17(14)5/h10,13,15H,3,6-9H2,1-2,4-5H3
InChIKeyMXELSHVDERTWSZ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.13
Rot. Bonds7

About 1-(2,5-dimethylpyrazol-3-yl)-3-methylidene-N-propylpentan-1-amine

1-(2,5-dimethylpyrazol-3-yl)-3-methylidene-N-propylpentan-1-amine (PubChem CID 105164051) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-methylidene-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-methylidene-N-propylpentan-1-amine
PubChem CID105164051
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-methylidene-N-propylpentan-1-amine
SMILESC=C(CC)CC(NCCC)c1cc(C)nn1C
InChIInChI=1S/C14H25N3/c1-6-8-15-13(9-11(3)7-2)14-10-12(4)16-17(14)5/h10,13,15H,3,6-9H2,1-2,4-5H3
InChIKeyMXELSHVDERTWSZ-UHFFFAOYSA-N
XLogP3.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2,5-dimethylpyrazol-3-yl)-3-methylidene-N-propylpentan-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-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propylbut-3-en-1-amine
CID 105163107
1-(2,5-dimethylpyrazol-3-yl)-N-propylhex-5-yn-1-amine
CID 105179663
1-(2,5-dimethylpyrazol-3-yl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 114984287
N-[1-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 105377138
N-[1-(2,5-dimethylpyrazol-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 105161876
N-[2-(4-chloro-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
CID 105190484
1-(furan-3-yl)-3-methylidene-N-propylpentan-1-amine
CID 66039717
N-[(3-chloro-4-methylphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine
CID 107561653
1-(2,5-dimethylpyrazol-3-yl)-N-methylpentan-1-amine
CID 105125646
1-(2,5-dimethylpyrazol-3-yl)-N-ethylheptan-1-amine
CID 105125896
N-ethyl-3-methylidene-1-(2-methylpyrazol-3-yl)pentan-1-amine
CID 105163864
N-[(2,5-dimethylpyrazol-3-yl)-(4-propylphenyl)methyl]propan-1-amine
CID 105144407

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-methylidene-N-propylpentan-1-amine?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-methylidene-N-propylpentan-1-amine (CID 105164051) is 1-(2,5-dimethylpyrazol-3-yl)-3-methylidene-N-propylpentan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-methylidene-N-propylpentan-1-amine?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-methylidene-N-propylpentan-1-amine is C=C(CC)CC(NCCC)c1cc(C)nn1C.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-methylidene-N-propylpentan-1-amine?
The InChIKey is MXELSHVDERTWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-6-8-15-13(9-11(3)7-2)14-10-12(4)16-17(14)5/h10,13,15H,3,6-9H2,1-2,4-5H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-methylidene-N-propylpentan-1-amine?
1-(2,5-dimethylpyrazol-3-yl)-3-methylidene-N-propylpentan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-methylidene-N-propylpentan-1-amine is sourced from PubChem (CID 105164051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).