(E)-3-(dimethylamino)-2-(2-ethylpyrazol-3-yl)prop-2-enenitrile

C10H14N4 — CID 90110745

IUPAC(E)-3-(dimethylamino)-2-(2-ethylpyrazol-3-yl)prop-2-enenitrile
SMILESCCn1nccc1/C(C#N)=C\N(C)C
InChIInChI=1S/C10H14N4/c1-4-14-10(5-6-12-14)9(7-11)8-13(2)3/h5-6,8H,4H2,1-3H3/b9-8-
InChIKeyNJZZYKYFJXIMBJ-HJWRWDBZSA-N
MW190.25 g/mol
LogP1.33
Rot. Bonds3

About (E)-3-(dimethylamino)-2-(2-ethylpyrazol-3-yl)prop-2-enenitrile

(E)-3-(dimethylamino)-2-(2-ethylpyrazol-3-yl)prop-2-enenitrile (PubChem CID 90110745) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is (E)-3-(dimethylamino)-2-(2-ethylpyrazol-3-yl)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-(dimethylamino)-2-(2-ethylpyrazol-3-yl)prop-2-enenitrile
PubChem CID90110745
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name(E)-3-(dimethylamino)-2-(2-ethylpyrazol-3-yl)prop-2-enenitrile
SMILESCCn1nccc1/C(C#N)=C\N(C)C
InChIInChI=1S/C10H14N4/c1-4-14-10(5-6-12-14)9(7-11)8-13(2)3/h5-6,8H,4H2,1-3H3/b9-8-
InChIKeyNJZZYKYFJXIMBJ-HJWRWDBZSA-N
XLogP1.33
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(dimethylamino)-2-(2-ethylpyrazol-3-yl)prop-2-enenitrile?
The IUPAC name of (E)-3-(dimethylamino)-2-(2-ethylpyrazol-3-yl)prop-2-enenitrile (CID 90110745) is (E)-3-(dimethylamino)-2-(2-ethylpyrazol-3-yl)prop-2-enenitrile.
What is the SMILES notation for (E)-3-(dimethylamino)-2-(2-ethylpyrazol-3-yl)prop-2-enenitrile?
The canonical SMILES for (E)-3-(dimethylamino)-2-(2-ethylpyrazol-3-yl)prop-2-enenitrile is CCn1nccc1/C(C#N)=C\N(C)C.
What is the InChIKey of (E)-3-(dimethylamino)-2-(2-ethylpyrazol-3-yl)prop-2-enenitrile?
The InChIKey is NJZZYKYFJXIMBJ-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H14N4/c1-4-14-10(5-6-12-14)9(7-11)8-13(2)3/h5-6,8H,4H2,1-3H3/b9-8-.
What are the key properties of (E)-3-(dimethylamino)-2-(2-ethylpyrazol-3-yl)prop-2-enenitrile?
(E)-3-(dimethylamino)-2-(2-ethylpyrazol-3-yl)prop-2-enenitrile has a molecular weight of 190.25 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(dimethylamino)-2-(2-ethylpyrazol-3-yl)prop-2-enenitrile is sourced from PubChem (CID 90110745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).