[(4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine

C12H11ClF4N4 — CID 105250271

IUPAC[(4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESCn1ncc(Cl)c1C(NN)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H11ClF4N4/c1-21-11(8(13)5-19-21)10(20-18)7-4-6(12(15,16)17)2-3-9(7)14/h2-5,10,20H,18H2,1H3
InChIKeyOKEVETLTCOJHJY-UHFFFAOYSA-N
MW322.69 g/mol
LogP2.78
Rot. Bonds3

About [(4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine

[(4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine (PubChem CID 105250271) has the molecular formula C12H11ClF4N4 and a molecular weight of 322.69 g/mol. Its IUPAC name is [(4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine.

Molecular Properties

Compound Name[(4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine
PubChem CID105250271
Molecular FormulaC12H11ClF4N4
Molecular Weight322.69 g/mol
Exact Mass322.06
IUPAC Name[(4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESCn1ncc(Cl)c1C(NN)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H11ClF4N4/c1-21-11(8(13)5-19-21)10(20-18)7-4-6(12(15,16)17)2-3-9(7)14/h2-5,10,20H,18H2,1H3
InChIKeyOKEVETLTCOJHJY-UHFFFAOYSA-N
XLogP2.78
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.69
LogP ≤ 52.78
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'}

Analyze [(4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 114644848
[(4-chloro-1-methylpyrazol-5-yl)-(2,4-difluorophenyl)methyl]hydrazine
CID 105216647
[(4-chloro-1-methylpyrazol-5-yl)-(3,5-dichlorophenyl)methyl]hydrazine
CID 105338868
[(2-ethylpyrazol-3-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105250266
[(4-fluorophenyl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105250257
1-(4-chloro-2-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114651089
[[2-fluoro-5-(trifluoromethyl)phenyl]-(5-methyl-3-pyridinyl)methyl]hydrazine
CID 105250235
[(4-bromo-1-methylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine
CID 105219438
[(4-chloro-1-methylpyrazol-5-yl)-pyridin-4-ylmethyl]hydrazine
CID 105196547
[(4-chloro-1-methylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methyl]hydrazine
CID 107970626
[[2-fluoro-5-(trifluoromethyl)phenyl]-(furan-3-yl)methyl]hydrazine
CID 105250289
[(4-chloro-1-methylpyrazol-5-yl)-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 105338778

Frequently Asked Questions

What is the IUPAC name of [(4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine?
The IUPAC name of [(4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine (CID 105250271) is [(4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine.
What is the SMILES notation for [(4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine?
The canonical SMILES for [(4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine is Cn1ncc(Cl)c1C(NN)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of [(4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine?
The InChIKey is OKEVETLTCOJHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF4N4/c1-21-11(8(13)5-19-21)10(20-18)7-4-6(12(15,16)17)2-3-9(7)14/h2-5,10,20H,18H2,1H3.
What are the key properties of [(4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine?
[(4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine has a molecular weight of 322.69 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine is sourced from PubChem (CID 105250271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).