3-(3,5-dimethyl-1H-pyrazol-4-yl)-N'-(1-phenylethenyl)propanehydrazide

C16H20N4O — CID 5054888

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N'-(1-phenylethenyl)propanehydrazide
SMILESC=C(NNC(=O)CCc1c(C)n[nH]c1C)c1ccccc1
InChIInChI=1S/C16H20N4O/c1-11(14-7-5-4-6-8-14)17-20-16(21)10-9-15-12(2)18-19-13(15)3/h4-8,17H,1,9-10H2,2-3H3,(H,18,19)(H,20,21)
InChIKeyOPJVGLWLRGHUQW-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.25
Rot. Bonds6

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N'-(1-phenylethenyl)propanehydrazide

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N'-(1-phenylethenyl)propanehydrazide (PubChem CID 5054888) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N'-(1-phenylethenyl)propanehydrazide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N'-(1-phenylethenyl)propanehydrazide
PubChem CID5054888
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N'-(1-phenylethenyl)propanehydrazide
SMILESC=C(NNC(=O)CCc1c(C)n[nH]c1C)c1ccccc1
InChIInChI=1S/C16H20N4O/c1-11(14-7-5-4-6-8-14)17-20-16(21)10-9-15-12(2)18-19-13(15)3/h4-8,17H,1,9-10H2,2-3H3,(H,18,19)(H,20,21)
InChIKeyOPJVGLWLRGHUQW-UHFFFAOYSA-N
XLogP2.25
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N'-(1-phenylethenyl)propanehydrazide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N'-(1-phenylethenyl)propanehydrazide (CID 5054888) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N'-(1-phenylethenyl)propanehydrazide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N'-(1-phenylethenyl)propanehydrazide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N'-(1-phenylethenyl)propanehydrazide is C=C(NNC(=O)CCc1c(C)n[nH]c1C)c1ccccc1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N'-(1-phenylethenyl)propanehydrazide?
The InChIKey is OPJVGLWLRGHUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11(14-7-5-4-6-8-14)17-20-16(21)10-9-15-12(2)18-19-13(15)3/h4-8,17H,1,9-10H2,2-3H3,(H,18,19)(H,20,21).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N'-(1-phenylethenyl)propanehydrazide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N'-(1-phenylethenyl)propanehydrazide has a molecular weight of 284.36 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N'-(1-phenylethenyl)propanehydrazide is sourced from PubChem (CID 5054888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).