2-(1-ethylpyrazol-4-yl)oxypropanenitrile

C8H11N3O — CID 116804628

IUPAC2-(1-ethylpyrazol-4-yl)oxypropanenitrile
SMILESCCn1cc(OC(C)C#N)cn1
InChIInChI=1S/C8H11N3O/c1-3-11-6-8(5-10-11)12-7(2)4-9/h5-7H,3H2,1-2H3
InChIKeyQPEVNKXTZWDVLO-UHFFFAOYSA-N
MW165.20 g/mol
LogP1.19
Rot. Bonds3

About 2-(1-ethylpyrazol-4-yl)oxypropanenitrile

2-(1-ethylpyrazol-4-yl)oxypropanenitrile (PubChem CID 116804628) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)oxypropanenitrile.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)oxypropanenitrile
PubChem CID116804628
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name2-(1-ethylpyrazol-4-yl)oxypropanenitrile
SMILESCCn1cc(OC(C)C#N)cn1
InChIInChI=1S/C8H11N3O/c1-3-11-6-8(5-10-11)12-7(2)4-9/h5-7H,3H2,1-2H3
InChIKeyQPEVNKXTZWDVLO-UHFFFAOYSA-N
XLogP1.19
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylpyrazol-4-yl)oxy-N-methylpropanamide
CID 116804462
1-ethyl-4-(2-methylbutoxy)pyrazole
CID 116804469
2-(1-ethylpyrazol-4-yl)oxy-N-methylbutan-1-amine
CID 116803166
1-ethyl-4-[(2-methylpropan-2-yl)oxy]pyrazole
CID 117229710
ethyl 2-(1-ethylpyrazol-4-yl)oxy-2-fluoroacetate
CID 116800069
1-ethyl-4-hexoxypyrazole
CID 116804751
N-cyclopropyl-2-(1-ethylpyrazol-4-yl)oxypropanamide
CID 116804714
5-(1-ethylpyrazol-4-yl)oxy-N-propan-2-ylpentan-1-amine
CID 116803192
2-(1-ethylpyrazol-4-yl)oxy-N-propylbutan-1-amine
CID 116803250
4-(1-ethylpyrazol-4-yl)oxybutan-1-amine
CID 116800659
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612
3-(1-ethylpyrazol-4-yl)oxypyridine-4-carbonitrile
CID 116801198

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)oxypropanenitrile?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)oxypropanenitrile (CID 116804628) is 2-(1-ethylpyrazol-4-yl)oxypropanenitrile.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)oxypropanenitrile?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)oxypropanenitrile is CCn1cc(OC(C)C#N)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)oxypropanenitrile?
The InChIKey is QPEVNKXTZWDVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-3-11-6-8(5-10-11)12-7(2)4-9/h5-7H,3H2,1-2H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)oxypropanenitrile?
2-(1-ethylpyrazol-4-yl)oxypropanenitrile has a molecular weight of 165.20 g/mol, XLogP of 1.19, 3 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)oxypropanenitrile is sourced from PubChem (CID 116804628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).