2-(3-ethyl-1,5-dimethylpyrazol-4-yl)acetonitrile

C9H13N3 — CID 171763211

IUPAC2-(3-ethyl-1,5-dimethylpyrazol-4-yl)acetonitrile
SMILESCCc1nn(C)c(C)c1CC#N
InChIInChI=1S/C9H13N3/c1-4-9-8(5-6-10)7(2)12(3)11-9/h4-5H2,1-3H3
InChIKeyPEDMMCJWXWLWOA-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.36
Rot. Bonds2

About 2-(3-ethyl-1,5-dimethylpyrazol-4-yl)acetonitrile

2-(3-ethyl-1,5-dimethylpyrazol-4-yl)acetonitrile (PubChem CID 171763211) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-(3-ethyl-1,5-dimethylpyrazol-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-ethyl-1,5-dimethylpyrazol-4-yl)acetonitrile
PubChem CID171763211
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name2-(3-ethyl-1,5-dimethylpyrazol-4-yl)acetonitrile
SMILESCCc1nn(C)c(C)c1CC#N
InChIInChI=1S/C9H13N3/c1-4-9-8(5-6-10)7(2)12(3)11-9/h4-5H2,1-3H3
InChIKeyPEDMMCJWXWLWOA-UHFFFAOYSA-N
XLogP1.36
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-1,5-dimethylpyrazol-3-yl)acetonitrile
CID 154776027
4,5-diethyl-2-methylpyrazol-3-amine;hydrate
CID 47000727
1-[(3-ethyl-1,5-dimethylpyrazol-4-yl)methyl]triazole
CID 171763187
ethane;4-ethyl-1,3,5-trimethylpyrazole
CID 143917345
5-chloro-3,4-diethyl-1-methylpyrazole
CID 142045538
3-ethyl-1,5-dimethyl-4-nitropyrazole
CID 89037224
3,5-diethyl-1,4-dimethylpyrazole
CID 44720131
2-(4-ethyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)acetonitrile
CID 53308978
2-(4-ethyl-6-methoxypyrimidin-5-yl)acetonitrile
CID 84767323
1,4,5-trimethylpyrazole-3-carbonitrile
CID 82651109
ethane;1,4,5-trimethylpyrazole-3-carbonitrile
CID 177367250
2-(4,6-diethyl-2-oxo-1H-pyrimidin-5-yl)acetonitrile
CID 84771908

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1,5-dimethylpyrazol-4-yl)acetonitrile?
The IUPAC name of 2-(3-ethyl-1,5-dimethylpyrazol-4-yl)acetonitrile (CID 171763211) is 2-(3-ethyl-1,5-dimethylpyrazol-4-yl)acetonitrile.
What is the SMILES notation for 2-(3-ethyl-1,5-dimethylpyrazol-4-yl)acetonitrile?
The canonical SMILES for 2-(3-ethyl-1,5-dimethylpyrazol-4-yl)acetonitrile is CCc1nn(C)c(C)c1CC#N.
What is the InChIKey of 2-(3-ethyl-1,5-dimethylpyrazol-4-yl)acetonitrile?
The InChIKey is PEDMMCJWXWLWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-4-9-8(5-6-10)7(2)12(3)11-9/h4-5H2,1-3H3.
What are the key properties of 2-(3-ethyl-1,5-dimethylpyrazol-4-yl)acetonitrile?
2-(3-ethyl-1,5-dimethylpyrazol-4-yl)acetonitrile has a molecular weight of 163.22 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1,5-dimethylpyrazol-4-yl)acetonitrile is sourced from PubChem (CID 171763211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).