2-(ethylamino)-2-methyl-4-(4-phenylpyrazol-1-yl)butanenitrile

C16H20N4 — CID 62769745

IUPAC2-(ethylamino)-2-methyl-4-(4-phenylpyrazol-1-yl)butanenitrile
SMILESCCNC(C)(C#N)CCn1cc(-c2ccccc2)cn1
InChIInChI=1S/C16H20N4/c1-3-18-16(2,13-17)9-10-20-12-15(11-19-20)14-7-5-4-6-8-14/h4-8,11-12,18H,3,9-10H2,1-2H3
InChIKeyUHINBPLUUZFUJB-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.83
Rot. Bonds6

About 2-(ethylamino)-2-methyl-4-(4-phenylpyrazol-1-yl)butanenitrile

2-(ethylamino)-2-methyl-4-(4-phenylpyrazol-1-yl)butanenitrile (PubChem CID 62769745) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-4-(4-phenylpyrazol-1-yl)butanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-4-(4-phenylpyrazol-1-yl)butanenitrile
PubChem CID62769745
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-(ethylamino)-2-methyl-4-(4-phenylpyrazol-1-yl)butanenitrile
SMILESCCNC(C)(C#N)CCn1cc(-c2ccccc2)cn1
InChIInChI=1S/C16H20N4/c1-3-18-16(2,13-17)9-10-20-12-15(11-19-20)14-7-5-4-6-8-14/h4-8,11-12,18H,3,9-10H2,1-2H3
InChIKeyUHINBPLUUZFUJB-UHFFFAOYSA-N
XLogP2.83
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.83
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-4-(4-phenylpyrazol-1-yl)butanenitrile?
The IUPAC name of 2-(ethylamino)-2-methyl-4-(4-phenylpyrazol-1-yl)butanenitrile (CID 62769745) is 2-(ethylamino)-2-methyl-4-(4-phenylpyrazol-1-yl)butanenitrile.
What is the SMILES notation for 2-(ethylamino)-2-methyl-4-(4-phenylpyrazol-1-yl)butanenitrile?
The canonical SMILES for 2-(ethylamino)-2-methyl-4-(4-phenylpyrazol-1-yl)butanenitrile is CCNC(C)(C#N)CCn1cc(-c2ccccc2)cn1.
What is the InChIKey of 2-(ethylamino)-2-methyl-4-(4-phenylpyrazol-1-yl)butanenitrile?
The InChIKey is UHINBPLUUZFUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-3-18-16(2,13-17)9-10-20-12-15(11-19-20)14-7-5-4-6-8-14/h4-8,11-12,18H,3,9-10H2,1-2H3.
What are the key properties of 2-(ethylamino)-2-methyl-4-(4-phenylpyrazol-1-yl)butanenitrile?
2-(ethylamino)-2-methyl-4-(4-phenylpyrazol-1-yl)butanenitrile has a molecular weight of 268.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-4-(4-phenylpyrazol-1-yl)butanenitrile is sourced from PubChem (CID 62769745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).