[(4-bromo-1-methylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine

C11H10BrF3N4 — CID 105208166

IUPAC[(4-bromo-1-methylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
SMILESCn1ncc(Br)c1C(NN)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H10BrF3N4/c1-19-11(6(12)4-17-19)10(18-16)5-2-7(13)9(15)8(14)3-5/h2-4,10,18H,16H2,1H3
InChIKeyRRMPKNCJZJXNHN-UHFFFAOYSA-N
MW335.13 g/mol
LogP2.15
Rot. Bonds3

About [(4-bromo-1-methylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine

[(4-bromo-1-methylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine (PubChem CID 105208166) has the molecular formula C11H10BrF3N4 and a molecular weight of 335.13 g/mol. Its IUPAC name is [(4-bromo-1-methylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-1-methylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
PubChem CID105208166
Molecular FormulaC11H10BrF3N4
Molecular Weight335.13 g/mol
Exact Mass334.00
IUPAC Name[(4-bromo-1-methylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
SMILESCn1ncc(Br)c1C(NN)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H10BrF3N4/c1-19-11(6(12)4-17-19)10(18-16)5-2-7(13)9(15)8(14)3-5/h2-4,10,18H,16H2,1H3
InChIKeyRRMPKNCJZJXNHN-UHFFFAOYSA-N
XLogP2.15
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.13
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(4-bromo-1-methylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methyl]hydrazine
CID 107997373
[(4-bromo-1-methylpyrazol-5-yl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 105204136
[(4-bromo-1-methylpyrazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105342188
[(4-bromo-1-methylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine
CID 105219438
[(4-bromo-1-methylpyrazol-5-yl)-(4-bromophenyl)methyl]hydrazine
CID 105192475
[(4-bromo-1-methylpyrazol-5-yl)-naphthalen-2-ylmethyl]hydrazine
CID 105213396
[(4-bromo-1-methylpyrazol-5-yl)-pyridin-3-ylmethyl]hydrazine
CID 105196230
[(4-bromo-1-methylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105342125
1-(4-bromo-2,6-difluorophenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105054286
[(4-bromo-1-methylpyrazol-5-yl)-(2,4-dichlorophenyl)methyl]hydrazine
CID 105342098
[(4-bromo-1-methylpyrazol-5-yl)-(2,5-dimethylpyrazol-3-yl)methyl]hydrazine
CID 105342219
[(4-bromo-1-methylpyrazol-5-yl)-(2-methylsulfanylphenyl)methyl]hydrazine
CID 105342179

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-1-methylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine?
The IUPAC name of [(4-bromo-1-methylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine (CID 105208166) is [(4-bromo-1-methylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-1-methylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-1-methylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine is Cn1ncc(Br)c1C(NN)c1cc(F)c(F)c(F)c1.
What is the InChIKey of [(4-bromo-1-methylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine?
The InChIKey is RRMPKNCJZJXNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3N4/c1-19-11(6(12)4-17-19)10(18-16)5-2-7(13)9(15)8(14)3-5/h2-4,10,18H,16H2,1H3.
What are the key properties of [(4-bromo-1-methylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine?
[(4-bromo-1-methylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine has a molecular weight of 335.13 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-1-methylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine is sourced from PubChem (CID 105208166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).