2-[1-(1-ethylpyrazol-4-yl)ethylamino]-3-methoxybenzonitrile

C15H18N4O — CID 107466734

IUPAC2-[1-(1-ethylpyrazol-4-yl)ethylamino]-3-methoxybenzonitrile
SMILESCCn1cc(C(C)Nc2c(C#N)cccc2OC)cn1
InChIInChI=1S/C15H18N4O/c1-4-19-10-13(9-17-19)11(2)18-15-12(8-16)6-5-7-14(15)20-3/h5-7,9-11,18H,4H2,1-3H3
InChIKeyLVVDAEWBCLFWIP-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.96
Rot. Bonds5

About 2-[1-(1-ethylpyrazol-4-yl)ethylamino]-3-methoxybenzonitrile

2-[1-(1-ethylpyrazol-4-yl)ethylamino]-3-methoxybenzonitrile (PubChem CID 107466734) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-[1-(1-ethylpyrazol-4-yl)ethylamino]-3-methoxybenzonitrile.

Molecular Properties

Compound Name2-[1-(1-ethylpyrazol-4-yl)ethylamino]-3-methoxybenzonitrile
PubChem CID107466734
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-[1-(1-ethylpyrazol-4-yl)ethylamino]-3-methoxybenzonitrile
SMILESCCn1cc(C(C)Nc2c(C#N)cccc2OC)cn1
InChIInChI=1S/C15H18N4O/c1-4-19-10-13(9-17-19)11(2)18-15-12(8-16)6-5-7-14(15)20-3/h5-7,9-11,18H,4H2,1-3H3
InChIKeyLVVDAEWBCLFWIP-UHFFFAOYSA-N
XLogP2.96
TPSA62.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-2-[1-(1-methylpyrazol-4-yl)ethylamino]benzonitrile
CID 107466706
2-(1-ethoxypropan-2-ylamino)-3-methoxybenzonitrile
CID 107466942
2-(hexan-2-ylamino)-3-methoxybenzonitrile
CID 107466667
3-methoxy-2-[(1-methoxy-3-methylbutan-2-yl)amino]benzonitrile
CID 107466948
(2,6-dimethoxyphenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 115815562
3-methoxy-2-(1-phenylpropan-2-ylamino)benzonitrile
CID 107466700
2-[1-(4-bromophenyl)propylamino]-3-methoxybenzonitrile
CID 107466745
2-(2-cyano-6-methoxyanilino)-N-(2-methylpropyl)propanamide
CID 107467514
tert-butyl N-[2-(2-cyano-6-methoxyanilino)propyl]carbamate
CID 107466574
4-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzonitrile
CID 43543489
2-(2,2-diethoxyethylamino)-3-methoxybenzonitrile
CID 107467407
2-(1-cyclopropylbutylamino)-3-methoxybenzonitrile
CID 114275975

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-ethylpyrazol-4-yl)ethylamino]-3-methoxybenzonitrile?
The IUPAC name of 2-[1-(1-ethylpyrazol-4-yl)ethylamino]-3-methoxybenzonitrile (CID 107466734) is 2-[1-(1-ethylpyrazol-4-yl)ethylamino]-3-methoxybenzonitrile.
What is the SMILES notation for 2-[1-(1-ethylpyrazol-4-yl)ethylamino]-3-methoxybenzonitrile?
The canonical SMILES for 2-[1-(1-ethylpyrazol-4-yl)ethylamino]-3-methoxybenzonitrile is CCn1cc(C(C)Nc2c(C#N)cccc2OC)cn1.
What is the InChIKey of 2-[1-(1-ethylpyrazol-4-yl)ethylamino]-3-methoxybenzonitrile?
The InChIKey is LVVDAEWBCLFWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-4-19-10-13(9-17-19)11(2)18-15-12(8-16)6-5-7-14(15)20-3/h5-7,9-11,18H,4H2,1-3H3.
What are the key properties of 2-[1-(1-ethylpyrazol-4-yl)ethylamino]-3-methoxybenzonitrile?
2-[1-(1-ethylpyrazol-4-yl)ethylamino]-3-methoxybenzonitrile has a molecular weight of 270.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-ethylpyrazol-4-yl)ethylamino]-3-methoxybenzonitrile is sourced from PubChem (CID 107466734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).