2-(1-propylpyrazol-4-yl)oxyacetonitrile

C8H11N3O — CID 116805140

IUPAC2-(1-propylpyrazol-4-yl)oxyacetonitrile
SMILESCCCn1cc(OCC#N)cn1
InChIInChI=1S/C8H11N3O/c1-2-4-11-7-8(6-10-11)12-5-3-9/h6-7H,2,4-5H2,1H3
InChIKeyGGCCLWWMNGHQAD-UHFFFAOYSA-N
MW165.20 g/mol
LogP1.20
Rot. Bonds4

About 2-(1-propylpyrazol-4-yl)oxyacetonitrile

2-(1-propylpyrazol-4-yl)oxyacetonitrile (PubChem CID 116805140) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 2-(1-propylpyrazol-4-yl)oxyacetonitrile.

Molecular Properties

Compound Name2-(1-propylpyrazol-4-yl)oxyacetonitrile
PubChem CID116805140
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name2-(1-propylpyrazol-4-yl)oxyacetonitrile
SMILESCCCn1cc(OCC#N)cn1
InChIInChI=1S/C8H11N3O/c1-2-4-11-7-8(6-10-11)12-5-3-9/h6-7H,2,4-5H2,1H3
InChIKeyGGCCLWWMNGHQAD-UHFFFAOYSA-N
XLogP1.20
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1-propylpyrazol-4-yl)oxyacetonitrile 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

4-propoxy-1-propylpyrazole
CID 116805185
4-(5-chloro-3-methylpentoxy)-1-propylpyrazole
CID 116800930
6-(1-propylpyrazol-4-yl)oxyhexan-1-ol
CID 107705463
N,N-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
CID 114526853
2-methyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
CID 103075179
2,2-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
CID 116803544
4-[(Z)-2,3-dichloroprop-2-enoxy]-1-propylpyrazole
CID 116804883
4-fluoro-2-[(1-propylpyrazol-4-yl)oxymethyl]benzonitrile
CID 107909495
4-[2-(bromomethyl)-3-methylbutoxy]-1-propylpyrazole
CID 116800925
2-ethyl-5-[(1-propylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole
CID 116805111
N-methyl-1-[5-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine
CID 116803441
N-ethyl-N-methyl-2-(1-propylpyrazol-4-yl)oxyacetamide
CID 116804991

Frequently Asked Questions

What is the IUPAC name of 2-(1-propylpyrazol-4-yl)oxyacetonitrile?
The IUPAC name of 2-(1-propylpyrazol-4-yl)oxyacetonitrile (CID 116805140) is 2-(1-propylpyrazol-4-yl)oxyacetonitrile.
What is the SMILES notation for 2-(1-propylpyrazol-4-yl)oxyacetonitrile?
The canonical SMILES for 2-(1-propylpyrazol-4-yl)oxyacetonitrile is CCCn1cc(OCC#N)cn1.
What is the InChIKey of 2-(1-propylpyrazol-4-yl)oxyacetonitrile?
The InChIKey is GGCCLWWMNGHQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-2-4-11-7-8(6-10-11)12-5-3-9/h6-7H,2,4-5H2,1H3.
What are the key properties of 2-(1-propylpyrazol-4-yl)oxyacetonitrile?
2-(1-propylpyrazol-4-yl)oxyacetonitrile has a molecular weight of 165.20 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylpyrazol-4-yl)oxyacetonitrile is sourced from PubChem (CID 116805140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).