1-(4-chloro-1-methylpyrazol-5-yl)but-3-enylhydrazine

C8H13ClN4 — CID 105269743

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)but-3-enylhydrazine
SMILESC=CCC(NN)c1c(Cl)cnn1C
InChIInChI=1S/C8H13ClN4/c1-3-4-7(12-10)8-6(9)5-11-13(8)2/h3,5,7,12H,1,4,10H2,2H3
InChIKeyMBNBJAYNYOQSSC-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.15
Rot. Bonds4

About 1-(4-chloro-1-methylpyrazol-5-yl)but-3-enylhydrazine

1-(4-chloro-1-methylpyrazol-5-yl)but-3-enylhydrazine (PubChem CID 105269743) has the molecular formula C8H13ClN4 and a molecular weight of 200.67 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)but-3-enylhydrazine.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)but-3-enylhydrazine
PubChem CID105269743
Molecular FormulaC8H13ClN4
Molecular Weight200.67 g/mol
Exact Mass200.08
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)but-3-enylhydrazine
SMILESC=CCC(NN)c1c(Cl)cnn1C
InChIInChI=1S/C8H13ClN4/c1-3-4-7(12-10)8-6(9)5-11-13(8)2/h3,5,7,12H,1,4,10H2,2H3
InChIKeyMBNBJAYNYOQSSC-UHFFFAOYSA-N
XLogP1.15
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.15
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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Related Compounds

[1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoropropyl]hydrazine
CID 105206072
[1-(4-chloro-1-methylpyrazol-5-yl)-3-cyclopentylpropyl]hydrazine
CID 105338877
[2-butan-2-ylsulfanyl-1-(4-chloro-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 105227220
1-(4-chloro-1-propylpyrazol-5-yl)-N-methylbut-3-en-1-amine
CID 114660818
[(4-chloro-1-methylpyrazol-5-yl)-(3,5-dichlorophenyl)methyl]hydrazine
CID 105338868
[2-chloro-1-(4-chloro-1-methylpyrazol-5-yl)-2,2-difluoroethyl]hydrazine
CID 105265541
1-(4-chloro-1-methylpyrazol-5-yl)-N-propylpropan-1-amine
CID 114647778
1-(1-propylpyrazol-4-yl)but-3-enylhydrazine
CID 105269651
[(5-chlorofuran-2-yl)-(4-chloro-1-methylpyrazol-5-yl)methyl]hydrazine
CID 106694761
2-(4-chloro-1-methylpyrazol-5-yl)propan-1-amine
CID 83827347
3-amino-1-(4-chloro-1-methylpyrazol-5-yl)propan-1-ol
CID 83829412
[(4-chloro-1-methylpyrazol-5-yl)-pyridin-4-ylmethyl]hydrazine
CID 105196547

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)but-3-enylhydrazine?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)but-3-enylhydrazine (CID 105269743) is 1-(4-chloro-1-methylpyrazol-5-yl)but-3-enylhydrazine.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)but-3-enylhydrazine?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)but-3-enylhydrazine is C=CCC(NN)c1c(Cl)cnn1C.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)but-3-enylhydrazine?
The InChIKey is MBNBJAYNYOQSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4/c1-3-4-7(12-10)8-6(9)5-11-13(8)2/h3,5,7,12H,1,4,10H2,2H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)but-3-enylhydrazine?
1-(4-chloro-1-methylpyrazol-5-yl)but-3-enylhydrazine has a molecular weight of 200.67 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)but-3-enylhydrazine is sourced from PubChem (CID 105269743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).