2-[(1-ethylpyrazol-3-yl)amino]propanenitrile

C8H12N4 — CID 130496243

IUPAC2-[(1-ethylpyrazol-3-yl)amino]propanenitrile
SMILESCCn1ccc(NC(C)C#N)n1
InChIInChI=1S/C8H12N4/c1-3-12-5-4-8(11-12)10-7(2)6-9/h4-5,7H,3H2,1-2H3,(H,10,11)
InChIKeyHOWRDFCCTFCANA-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.23
Rot. Bonds3

About 2-[(1-ethylpyrazol-3-yl)amino]propanenitrile

2-[(1-ethylpyrazol-3-yl)amino]propanenitrile (PubChem CID 130496243) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-3-yl)amino]propanenitrile.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-3-yl)amino]propanenitrile
PubChem CID130496243
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name2-[(1-ethylpyrazol-3-yl)amino]propanenitrile
SMILESCCn1ccc(NC(C)C#N)n1
InChIInChI=1S/C8H12N4/c1-3-12-5-4-8(11-12)10-7(2)6-9/h4-5,7H,3H2,1-2H3,(H,10,11)
InChIKeyHOWRDFCCTFCANA-UHFFFAOYSA-N
XLogP1.23
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-ethylpyrazol-3-yl)amino]-2-methylpropanenitrile
CID 130496237
N-butan-2-yl-1-ethylpyrazol-3-amine
CID 130496120
N-(1,1-difluoropropan-2-yl)-1-ethylpyrazol-3-amine
CID 130496141
1-ethyl-N-(1-phenylpropan-2-yl)pyrazol-3-amine
CID 114251813
1-ethyl-N-[1-(4-fluorophenyl)ethyl]pyrazol-3-amine
CID 114251809
1-ethyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]pyrazol-3-amine
CID 114251787
1-ethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 114252049
1-ethyl-N-(2-phenylpropyl)pyrazol-3-amine
CID 114251829
1-(3-methylbutyl)-N-propan-2-ylpyrazol-3-amine
CID 115921806
1-(2,2-difluoroethyl)-N-propan-2-ylpyrazol-3-amine
CID 115921015
2-[3-[1-(4-cyanophenyl)ethylamino]pyrazol-1-yl]acetamide
CID 75446821
1-cyano-N-(1-ethylpyrazol-3-yl)cyclopentane-1-carboxamide
CID 114251204

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-3-yl)amino]propanenitrile?
The IUPAC name of 2-[(1-ethylpyrazol-3-yl)amino]propanenitrile (CID 130496243) is 2-[(1-ethylpyrazol-3-yl)amino]propanenitrile.
What is the SMILES notation for 2-[(1-ethylpyrazol-3-yl)amino]propanenitrile?
The canonical SMILES for 2-[(1-ethylpyrazol-3-yl)amino]propanenitrile is CCn1ccc(NC(C)C#N)n1.
What is the InChIKey of 2-[(1-ethylpyrazol-3-yl)amino]propanenitrile?
The InChIKey is HOWRDFCCTFCANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-3-12-5-4-8(11-12)10-7(2)6-9/h4-5,7H,3H2,1-2H3,(H,10,11).
What are the key properties of 2-[(1-ethylpyrazol-3-yl)amino]propanenitrile?
2-[(1-ethylpyrazol-3-yl)amino]propanenitrile has a molecular weight of 164.21 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-3-yl)amino]propanenitrile is sourced from PubChem (CID 130496243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).