2-(1-ethyl-5-methylpyrazol-4-yl)acetonitrile

C8H11N3 — CID 66097014

IUPAC2-(1-ethyl-5-methylpyrazol-4-yl)acetonitrile
SMILESCCn1ncc(CC#N)c1C
InChIInChI=1S/C8H11N3/c1-3-11-7(2)8(4-5-9)6-10-11/h6H,3-4H2,1-2H3
InChIKeyOOWPJKMRMZAPBJ-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.28
Rot. Bonds2

About 2-(1-ethyl-5-methylpyrazol-4-yl)acetonitrile

2-(1-ethyl-5-methylpyrazol-4-yl)acetonitrile (PubChem CID 66097014) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 2-(1-ethyl-5-methylpyrazol-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-ethyl-5-methylpyrazol-4-yl)acetonitrile
PubChem CID66097014
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name2-(1-ethyl-5-methylpyrazol-4-yl)acetonitrile
SMILESCCn1ncc(CC#N)c1C
InChIInChI=1S/C8H11N3/c1-3-11-7(2)8(4-5-9)6-10-11/h6H,3-4H2,1-2H3
InChIKeyOOWPJKMRMZAPBJ-UHFFFAOYSA-N
XLogP1.28
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]acetonitrile
CID 82528430
2-[(1-ethyl-5-methylpyrazol-4-yl)methylsulfanyl]ethanamine
CID 19621105
2-[1-(2,5-dichlorophenyl)-5-methylpyrazol-4-yl]acetonitrile
CID 82528220
1-ethyl-5-methylpyrazole-4-thiol
CID 66098686
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]butanamide
CID 19290534
2-[5-(cyanomethyl)-2,6-dimethyl-3-pyridinyl]acetonitrile
CID 68939181
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 19618954
1-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-carboxamide
CID 19477894
3-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]phenol
CID 19627475
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylsulfamoyl]-N-methylpropan-2-amine
CID 131900433
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,2,3,4,5,6-hexamethylbenzenesulfonamide
CID 999537
2-[6-(3,4-dimethylphenyl)-2-ethyl-3-oxopyridazin-4-yl]acetonitrile
CID 82444849

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-5-methylpyrazol-4-yl)acetonitrile?
The IUPAC name of 2-(1-ethyl-5-methylpyrazol-4-yl)acetonitrile (CID 66097014) is 2-(1-ethyl-5-methylpyrazol-4-yl)acetonitrile.
What is the SMILES notation for 2-(1-ethyl-5-methylpyrazol-4-yl)acetonitrile?
The canonical SMILES for 2-(1-ethyl-5-methylpyrazol-4-yl)acetonitrile is CCn1ncc(CC#N)c1C.
What is the InChIKey of 2-(1-ethyl-5-methylpyrazol-4-yl)acetonitrile?
The InChIKey is OOWPJKMRMZAPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-3-11-7(2)8(4-5-9)6-10-11/h6H,3-4H2,1-2H3.
What are the key properties of 2-(1-ethyl-5-methylpyrazol-4-yl)acetonitrile?
2-(1-ethyl-5-methylpyrazol-4-yl)acetonitrile has a molecular weight of 149.20 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-5-methylpyrazol-4-yl)acetonitrile is sourced from PubChem (CID 66097014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).