2-(ethylamino)-2-methyl-5-(4-phenylpyrazol-1-yl)pentanenitrile

C17H22N4 — CID 62770461

IUPAC2-(ethylamino)-2-methyl-5-(4-phenylpyrazol-1-yl)pentanenitrile
SMILESCCNC(C)(C#N)CCCn1cc(-c2ccccc2)cn1
InChIInChI=1S/C17H22N4/c1-3-19-17(2,14-18)10-7-11-21-13-16(12-20-21)15-8-5-4-6-9-15/h4-6,8-9,12-13,19H,3,7,10-11H2,1-2H3
InChIKeyYLCKBUJWURNIIR-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.22
Rot. Bonds7

About 2-(ethylamino)-2-methyl-5-(4-phenylpyrazol-1-yl)pentanenitrile

2-(ethylamino)-2-methyl-5-(4-phenylpyrazol-1-yl)pentanenitrile (PubChem CID 62770461) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-5-(4-phenylpyrazol-1-yl)pentanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-5-(4-phenylpyrazol-1-yl)pentanenitrile
PubChem CID62770461
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-(ethylamino)-2-methyl-5-(4-phenylpyrazol-1-yl)pentanenitrile
SMILESCCNC(C)(C#N)CCCn1cc(-c2ccccc2)cn1
InChIInChI=1S/C17H22N4/c1-3-19-17(2,14-18)10-7-11-21-13-16(12-20-21)15-8-5-4-6-9-15/h4-6,8-9,12-13,19H,3,7,10-11H2,1-2H3
InChIKeyYLCKBUJWURNIIR-UHFFFAOYSA-N
XLogP3.22
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-5-(4-phenylpyrazol-1-yl)pentanenitrile?
The IUPAC name of 2-(ethylamino)-2-methyl-5-(4-phenylpyrazol-1-yl)pentanenitrile (CID 62770461) is 2-(ethylamino)-2-methyl-5-(4-phenylpyrazol-1-yl)pentanenitrile.
What is the SMILES notation for 2-(ethylamino)-2-methyl-5-(4-phenylpyrazol-1-yl)pentanenitrile?
The canonical SMILES for 2-(ethylamino)-2-methyl-5-(4-phenylpyrazol-1-yl)pentanenitrile is CCNC(C)(C#N)CCCn1cc(-c2ccccc2)cn1.
What is the InChIKey of 2-(ethylamino)-2-methyl-5-(4-phenylpyrazol-1-yl)pentanenitrile?
The InChIKey is YLCKBUJWURNIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-3-19-17(2,14-18)10-7-11-21-13-16(12-20-21)15-8-5-4-6-9-15/h4-6,8-9,12-13,19H,3,7,10-11H2,1-2H3.
What are the key properties of 2-(ethylamino)-2-methyl-5-(4-phenylpyrazol-1-yl)pentanenitrile?
2-(ethylamino)-2-methyl-5-(4-phenylpyrazol-1-yl)pentanenitrile has a molecular weight of 282.39 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-5-(4-phenylpyrazol-1-yl)pentanenitrile is sourced from PubChem (CID 62770461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).