[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]hydrazine

C5H6ClF3N4 — CID 22912796

IUPAC[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]hydrazine
SMILESCn1nc(NN)c(Cl)c1C(F)(F)F
InChIInChI=1S/C5H6ClF3N4/c1-13-3(5(7,8)9)2(6)4(11-10)12-13/h10H2,1H3,(H,11,12)
InChIKeyVOIYNOQOXUHFGJ-UHFFFAOYSA-N
MW214.58 g/mol
LogP1.38
Rot. Bonds1

About [4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]hydrazine

[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]hydrazine (PubChem CID 22912796) has the molecular formula C5H6ClF3N4 and a molecular weight of 214.58 g/mol. Its IUPAC name is [4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]hydrazine.

Molecular Properties

Compound Name[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]hydrazine
PubChem CID22912796
Molecular FormulaC5H6ClF3N4
Molecular Weight214.58 g/mol
Exact Mass214.02
IUPAC Name[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]hydrazine
SMILESCn1nc(NN)c(Cl)c1C(F)(F)F
InChIInChI=1S/C5H6ClF3N4/c1-13-3(5(7,8)9)2(6)4(11-10)12-13/h10H2,1H3,(H,11,12)
InChIKeyVOIYNOQOXUHFGJ-UHFFFAOYSA-N
XLogP1.38
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.58
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 [4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]hydrazine?
The IUPAC name of [4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]hydrazine (CID 22912796) is [4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]hydrazine.
What is the SMILES notation for [4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]hydrazine?
The canonical SMILES for [4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]hydrazine is Cn1nc(NN)c(Cl)c1C(F)(F)F.
What is the InChIKey of [4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]hydrazine?
The InChIKey is VOIYNOQOXUHFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClF3N4/c1-13-3(5(7,8)9)2(6)4(11-10)12-13/h10H2,1H3,(H,11,12).
What are the key properties of [4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]hydrazine?
[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]hydrazine has a molecular weight of 214.58 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]hydrazine is sourced from PubChem (CID 22912796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).