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

C9H14N4 — CID 130496237

IUPAC3-[(1-ethylpyrazol-3-yl)amino]-2-methylpropanenitrile
SMILESCCn1ccc(NCC(C)C#N)n1
InChIInChI=1S/C9H14N4/c1-3-13-5-4-9(12-13)11-7-8(2)6-10/h4-5,8H,3,7H2,1-2H3,(H,11,12)
InChIKeyUENVTUULORNKGM-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.47
Rot. Bonds4

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

3-[(1-ethylpyrazol-3-yl)amino]-2-methylpropanenitrile (PubChem CID 130496237) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 3-[(1-ethylpyrazol-3-yl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(1-ethylpyrazol-3-yl)amino]-2-methylpropanenitrile
PubChem CID130496237
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name3-[(1-ethylpyrazol-3-yl)amino]-2-methylpropanenitrile
SMILESCCn1ccc(NCC(C)C#N)n1
InChIInChI=1S/C9H14N4/c1-3-13-5-4-9(12-13)11-7-8(2)6-10/h4-5,8H,3,7H2,1-2H3,(H,11,12)
InChIKeyUENVTUULORNKGM-UHFFFAOYSA-N
XLogP1.47
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-ethylpyrazol-3-yl)amino]propanenitrile
CID 130496243
1-ethyl-N-(2-phenylpropyl)pyrazol-3-amine
CID 114251829
1-ethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 114252049
N-butan-2-yl-1-ethylpyrazol-3-amine
CID 130496120
N'-(1-ethylpyrazol-3-yl)-2-phenylpropane-1,3-diamine
CID 114252240
N-(1,1-difluoropropan-2-yl)-1-ethylpyrazol-3-amine
CID 130496141
1-ethyl-N-(2-methylprop-2-enyl)pyrazol-3-amine
CID 130496222
3-chloro-4-[[(1-ethylpyrazol-3-yl)amino]methyl]benzonitrile
CID 114252070
3-[[(1-ethylpyrazol-3-yl)amino]methyl]-2-fluorobenzonitrile
CID 114252043
2-[3-[(1-ethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol
CID 122166587
1-ethyl-N-[(4-fluorophenyl)methyl]pyrazol-3-amine
CID 141210636
1-ethyl-N-(1-phenylpropan-2-yl)pyrazol-3-amine
CID 114251813

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrazol-3-yl)amino]-2-methylpropanenitrile?
The IUPAC name of 3-[(1-ethylpyrazol-3-yl)amino]-2-methylpropanenitrile (CID 130496237) is 3-[(1-ethylpyrazol-3-yl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(1-ethylpyrazol-3-yl)amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(1-ethylpyrazol-3-yl)amino]-2-methylpropanenitrile is CCn1ccc(NCC(C)C#N)n1.
What is the InChIKey of 3-[(1-ethylpyrazol-3-yl)amino]-2-methylpropanenitrile?
The InChIKey is UENVTUULORNKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-3-13-5-4-9(12-13)11-7-8(2)6-10/h4-5,8H,3,7H2,1-2H3,(H,11,12).
What are the key properties of 3-[(1-ethylpyrazol-3-yl)amino]-2-methylpropanenitrile?
3-[(1-ethylpyrazol-3-yl)amino]-2-methylpropanenitrile has a molecular weight of 178.24 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrazol-3-yl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 130496237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).