2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetonitrile

C14H24N4 — CID 64801479

IUPAC2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetonitrile
SMILESCCCN(CC#N)Cc1ccn(C(CC)CC)n1
InChIInChI=1S/C14H24N4/c1-4-9-17(11-8-15)12-13-7-10-18(16-13)14(5-2)6-3/h7,10,14H,4-6,9,11-12H2,1-3H3
InChIKeyFENCMNWZUZZQIG-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.98
Rot. Bonds8

About 2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetonitrile

2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetonitrile (PubChem CID 64801479) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetonitrile.

Molecular Properties

Compound Name2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetonitrile
PubChem CID64801479
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetonitrile
SMILESCCCN(CC#N)Cc1ccn(C(CC)CC)n1
InChIInChI=1S/C14H24N4/c1-4-9-17(11-8-15)12-13-7-10-18(16-13)14(5-2)6-3/h7,10,14H,4-6,9,11-12H2,1-3H3
InChIKeyFENCMNWZUZZQIG-UHFFFAOYSA-N
XLogP2.98
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetonitrile 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

2-[(1-butan-2-ylpyrazol-3-yl)methyl-propylamino]acetonitrile
CID 64801478
ethyl 2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetate
CID 64780042
N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 64799832
N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 64800022
1-[ethyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]-2-methylpropan-2-ol
CID 79389937
3-(bromomethyl)-1-pentan-3-ylpyrazole
CID 81222884
2-[(1-butan-2-ylpyrazol-3-yl)methyl-propylamino]ethanol
CID 64777688
3-[ethyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]-2-methylpropanoic acid
CID 64784229
3-[(1-butan-2-ylpyrazol-3-yl)methyl-(2-methylpropyl)amino]propanenitrile
CID 64800723
3-[ethyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]-2-methylpropanethioamide
CID 64800753
N-methyl-N'-[(1-methylpyrazol-3-yl)methyl]-N'-propylethane-1,2-diamine
CID 82865868
2-[4-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]acetonitrile
CID 64800919

Frequently Asked Questions

What is the IUPAC name of 2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetonitrile?
The IUPAC name of 2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetonitrile (CID 64801479) is 2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetonitrile.
What is the SMILES notation for 2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetonitrile?
The canonical SMILES for 2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetonitrile is CCCN(CC#N)Cc1ccn(C(CC)CC)n1.
What is the InChIKey of 2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetonitrile?
The InChIKey is FENCMNWZUZZQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-9-17(11-8-15)12-13-7-10-18(16-13)14(5-2)6-3/h7,10,14H,4-6,9,11-12H2,1-3H3.
What are the key properties of 2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetonitrile?
2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetonitrile has a molecular weight of 248.37 g/mol, XLogP of 2.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetonitrile is sourced from PubChem (CID 64801479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).