[3-methyl-1-(1-phenylpyrazol-3-yl)but-2-enyl]hydrazine

C14H18N4 — CID 105319814

IUPAC[3-methyl-1-(1-phenylpyrazol-3-yl)but-2-enyl]hydrazine
SMILESCC(C)=CC(NN)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C14H18N4/c1-11(2)10-14(16-15)13-8-9-18(17-13)12-6-4-3-5-7-12/h3-10,14,16H,15H2,1-2H3
InChIKeyDUYHOZCXRYKDNT-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.34
Rot. Bonds4

About [3-methyl-1-(1-phenylpyrazol-3-yl)but-2-enyl]hydrazine

[3-methyl-1-(1-phenylpyrazol-3-yl)but-2-enyl]hydrazine (PubChem CID 105319814) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is [3-methyl-1-(1-phenylpyrazol-3-yl)but-2-enyl]hydrazine.

Molecular Properties

Compound Name[3-methyl-1-(1-phenylpyrazol-3-yl)but-2-enyl]hydrazine
PubChem CID105319814
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name[3-methyl-1-(1-phenylpyrazol-3-yl)but-2-enyl]hydrazine
SMILESCC(C)=CC(NN)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C14H18N4/c1-11(2)10-14(16-15)13-8-9-18(17-13)12-6-4-3-5-7-12/h3-10,14,16H,15H2,1-2H3
InChIKeyDUYHOZCXRYKDNT-UHFFFAOYSA-N
XLogP2.34
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(1-phenylpyrazol-3-yl)but-2-enyl]hydrazine?
The IUPAC name of [3-methyl-1-(1-phenylpyrazol-3-yl)but-2-enyl]hydrazine (CID 105319814) is [3-methyl-1-(1-phenylpyrazol-3-yl)but-2-enyl]hydrazine.
What is the SMILES notation for [3-methyl-1-(1-phenylpyrazol-3-yl)but-2-enyl]hydrazine?
The canonical SMILES for [3-methyl-1-(1-phenylpyrazol-3-yl)but-2-enyl]hydrazine is CC(C)=CC(NN)c1ccn(-c2ccccc2)n1.
What is the InChIKey of [3-methyl-1-(1-phenylpyrazol-3-yl)but-2-enyl]hydrazine?
The InChIKey is DUYHOZCXRYKDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-11(2)10-14(16-15)13-8-9-18(17-13)12-6-4-3-5-7-12/h3-10,14,16H,15H2,1-2H3.
What are the key properties of [3-methyl-1-(1-phenylpyrazol-3-yl)but-2-enyl]hydrazine?
[3-methyl-1-(1-phenylpyrazol-3-yl)but-2-enyl]hydrazine has a molecular weight of 242.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(1-phenylpyrazol-3-yl)but-2-enyl]hydrazine is sourced from PubChem (CID 105319814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).