1,4-dimethyl-5-[(Z)-prop-2-enylideneamino]pyrazol-3-amine

C8H12N4 — CID 144824395

IUPAC1,4-dimethyl-5-[(Z)-prop-2-enylideneamino]pyrazol-3-amine
SMILESC=C/C=N\c1c(C)c(N)nn1C
InChIInChI=1S/C8H12N4/c1-4-5-10-8-6(2)7(9)11-12(8)3/h4-5H,1H2,2-3H3,(H2,9,11)/b10-5-
InChIKeyUCWBMVIAZDFGPJ-YHYXMXQVSA-N
MW164.21 g/mol
LogP1.20
Rot. Bonds2

About 1,4-dimethyl-5-[(Z)-prop-2-enylideneamino]pyrazol-3-amine

1,4-dimethyl-5-[(Z)-prop-2-enylideneamino]pyrazol-3-amine (PubChem CID 144824395) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 1,4-dimethyl-5-[(Z)-prop-2-enylideneamino]pyrazol-3-amine.

Molecular Properties

Compound Name1,4-dimethyl-5-[(Z)-prop-2-enylideneamino]pyrazol-3-amine
PubChem CID144824395
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name1,4-dimethyl-5-[(Z)-prop-2-enylideneamino]pyrazol-3-amine
SMILESC=C/C=N\c1c(C)c(N)nn1C
InChIInChI=1S/C8H12N4/c1-4-5-10-8-6(2)7(9)11-12(8)3/h4-5H,1H2,2-3H3,(H2,9,11)/b10-5-
InChIKeyUCWBMVIAZDFGPJ-YHYXMXQVSA-N
XLogP1.20
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-5-[(Z)-prop-2-enylideneamino]pyrazol-3-amine?
The IUPAC name of 1,4-dimethyl-5-[(Z)-prop-2-enylideneamino]pyrazol-3-amine (CID 144824395) is 1,4-dimethyl-5-[(Z)-prop-2-enylideneamino]pyrazol-3-amine.
What is the SMILES notation for 1,4-dimethyl-5-[(Z)-prop-2-enylideneamino]pyrazol-3-amine?
The canonical SMILES for 1,4-dimethyl-5-[(Z)-prop-2-enylideneamino]pyrazol-3-amine is C=C/C=N\c1c(C)c(N)nn1C.
What is the InChIKey of 1,4-dimethyl-5-[(Z)-prop-2-enylideneamino]pyrazol-3-amine?
The InChIKey is UCWBMVIAZDFGPJ-YHYXMXQVSA-N. The full InChI is InChI=1S/C8H12N4/c1-4-5-10-8-6(2)7(9)11-12(8)3/h4-5H,1H2,2-3H3,(H2,9,11)/b10-5-.
What are the key properties of 1,4-dimethyl-5-[(Z)-prop-2-enylideneamino]pyrazol-3-amine?
1,4-dimethyl-5-[(Z)-prop-2-enylideneamino]pyrazol-3-amine has a molecular weight of 164.21 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-5-[(Z)-prop-2-enylideneamino]pyrazol-3-amine is sourced from PubChem (CID 144824395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).