2-[(1-ethylpyrazol-4-yl)methyl-propylamino]acetonitrile

C11H18N4 — CID 55211862

IUPAC2-[(1-ethylpyrazol-4-yl)methyl-propylamino]acetonitrile
SMILESCCCN(CC#N)Cc1cnn(CC)c1
InChIInChI=1S/C11H18N4/c1-3-6-14(7-5-12)9-11-8-13-15(4-2)10-11/h8,10H,3-4,6-7,9H2,1-2H3
InChIKeyCGQLOZIXBGVUGD-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.64
Rot. Bonds6

About 2-[(1-ethylpyrazol-4-yl)methyl-propylamino]acetonitrile

2-[(1-ethylpyrazol-4-yl)methyl-propylamino]acetonitrile (PubChem CID 55211862) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)methyl-propylamino]acetonitrile.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)methyl-propylamino]acetonitrile
PubChem CID55211862
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name2-[(1-ethylpyrazol-4-yl)methyl-propylamino]acetonitrile
SMILESCCCN(CC#N)Cc1cnn(CC)c1
InChIInChI=1S/C11H18N4/c1-3-6-14(7-5-12)9-11-8-13-15(4-2)10-11/h8,10H,3-4,6-7,9H2,1-2H3
InChIKeyCGQLOZIXBGVUGD-UHFFFAOYSA-N
XLogP1.64
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-ethylpyrazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 62128238
1,4-diethylpyrazole;ethane
CID 143641951
N-[(1-ethylpyrazol-4-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79714314
3-(1-ethylpyrazol-4-yl)propanenitrile
CID 62128053
2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]benzonitrile
CID 46989853
N'-benzyl-N'-[(1-ethylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62127057
N'-[(1-methylpyrazol-4-yl)methyl]-N'-propylethane-1,2-diamine
CID 62127234
N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 46993229
2-[(1-ethylpyrazol-4-yl)methyl-pentan-3-ylamino]ethanol
CID 62128242
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
2-[(1-ethylpyrazol-4-yl)methyl-prop-2-enylamino]acetic acid
CID 79276968
N-[(1-ethylpyrazol-4-yl)methyl]-N-(furan-3-ylmethyl)-2-methylpropan-1-amine
CID 46991462

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)methyl-propylamino]acetonitrile?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)methyl-propylamino]acetonitrile (CID 55211862) is 2-[(1-ethylpyrazol-4-yl)methyl-propylamino]acetonitrile.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)methyl-propylamino]acetonitrile?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)methyl-propylamino]acetonitrile is CCCN(CC#N)Cc1cnn(CC)c1.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)methyl-propylamino]acetonitrile?
The InChIKey is CGQLOZIXBGVUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-3-6-14(7-5-12)9-11-8-13-15(4-2)10-11/h8,10H,3-4,6-7,9H2,1-2H3.
What are the key properties of 2-[(1-ethylpyrazol-4-yl)methyl-propylamino]acetonitrile?
2-[(1-ethylpyrazol-4-yl)methyl-propylamino]acetonitrile has a molecular weight of 206.29 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)methyl-propylamino]acetonitrile is sourced from PubChem (CID 55211862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).