(Z)-3-(dimethylamino)-2-(1H-pyrazol-5-yl)prop-2-enenitrile

C8H10N4 — CID 90112632

IUPAC(Z)-3-(dimethylamino)-2-(1H-pyrazol-5-yl)prop-2-enenitrile
SMILESCN(C)/C=C(\C#N)c1ccn[nH]1
InChIInChI=1S/C8H10N4/c1-12(2)6-7(5-9)8-3-4-10-11-8/h3-4,6H,1-2H3,(H,10,11)/b7-6+
InChIKeyFSGYIZJHPDWMGP-VOTSOKGWSA-N
MW162.20 g/mol
LogP0.84
Rot. Bonds2

About (Z)-3-(dimethylamino)-2-(1H-pyrazol-5-yl)prop-2-enenitrile

(Z)-3-(dimethylamino)-2-(1H-pyrazol-5-yl)prop-2-enenitrile (PubChem CID 90112632) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is (Z)-3-(dimethylamino)-2-(1H-pyrazol-5-yl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(dimethylamino)-2-(1H-pyrazol-5-yl)prop-2-enenitrile
PubChem CID90112632
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name(Z)-3-(dimethylamino)-2-(1H-pyrazol-5-yl)prop-2-enenitrile
SMILESCN(C)/C=C(\C#N)c1ccn[nH]1
InChIInChI=1S/C8H10N4/c1-12(2)6-7(5-9)8-3-4-10-11-8/h3-4,6H,1-2H3,(H,10,11)/b7-6+
InChIKeyFSGYIZJHPDWMGP-VOTSOKGWSA-N
XLogP0.84
TPSA55.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (Z)-3-(dimethylamino)-2-(1H-pyrazol-5-yl)prop-2-enenitrile?
The IUPAC name of (Z)-3-(dimethylamino)-2-(1H-pyrazol-5-yl)prop-2-enenitrile (CID 90112632) is (Z)-3-(dimethylamino)-2-(1H-pyrazol-5-yl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-(dimethylamino)-2-(1H-pyrazol-5-yl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-(dimethylamino)-2-(1H-pyrazol-5-yl)prop-2-enenitrile is CN(C)/C=C(\C#N)c1ccn[nH]1.
What is the InChIKey of (Z)-3-(dimethylamino)-2-(1H-pyrazol-5-yl)prop-2-enenitrile?
The InChIKey is FSGYIZJHPDWMGP-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H10N4/c1-12(2)6-7(5-9)8-3-4-10-11-8/h3-4,6H,1-2H3,(H,10,11)/b7-6+.
What are the key properties of (Z)-3-(dimethylamino)-2-(1H-pyrazol-5-yl)prop-2-enenitrile?
(Z)-3-(dimethylamino)-2-(1H-pyrazol-5-yl)prop-2-enenitrile has a molecular weight of 162.20 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(dimethylamino)-2-(1H-pyrazol-5-yl)prop-2-enenitrile is sourced from PubChem (CID 90112632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).