[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2,5-difluorophenyl)methyl]hydrazine

C13H14BrClF2N4 — CID 105337011

IUPAC[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2,5-difluorophenyl)methyl]hydrazine
SMILESCC(C)n1ncc(Br)c1C(NN)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C13H14BrClF2N4/c1-6(2)21-13(8(14)5-19-21)12(20-18)7-3-11(17)9(15)4-10(7)16/h3-6,12,20H,18H2,1-2H3
InChIKeyHRMQRTSOXVVQNH-UHFFFAOYSA-N
MW379.64 g/mol
LogP3.71
Rot. Bonds4

About [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2,5-difluorophenyl)methyl]hydrazine

[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2,5-difluorophenyl)methyl]hydrazine (PubChem CID 105337011) has the molecular formula C13H14BrClF2N4 and a molecular weight of 379.64 g/mol. Its IUPAC name is [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2,5-difluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2,5-difluorophenyl)methyl]hydrazine
PubChem CID105337011
Molecular FormulaC13H14BrClF2N4
Molecular Weight379.64 g/mol
Exact Mass378.01
IUPAC Name[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2,5-difluorophenyl)methyl]hydrazine
SMILESCC(C)n1ncc(Br)c1C(NN)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C13H14BrClF2N4/c1-6(2)21-13(8(14)5-19-21)12(20-18)7-3-11(17)9(15)4-10(7)16/h3-6,12,20H,18H2,1-2H3
InChIKeyHRMQRTSOXVVQNH-UHFFFAOYSA-N
XLogP3.71
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.64
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(4-chloro-2,5-difluorophenyl)-N-methylmethanamine
CID 105042139
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2-fluorophenyl)methyl]hydrazine
CID 105217795
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,4-dichlorophenyl)methyl]hydrazine
CID 105257041
[(4-bromo-3-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105337024
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methyl]hydrazine
CID 107970606
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 114651120
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105337018
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methyl]hydrazine
CID 102805215
[(2-bromo-3-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105336794
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105336978
[(2-chloro-3-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105336821
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 105042228

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2,5-difluorophenyl)methyl]hydrazine?
The IUPAC name of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2,5-difluorophenyl)methyl]hydrazine (CID 105337011) is [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2,5-difluorophenyl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2,5-difluorophenyl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2,5-difluorophenyl)methyl]hydrazine is CC(C)n1ncc(Br)c1C(NN)c1cc(F)c(Cl)cc1F.
What is the InChIKey of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2,5-difluorophenyl)methyl]hydrazine?
The InChIKey is HRMQRTSOXVVQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClF2N4/c1-6(2)21-13(8(14)5-19-21)12(20-18)7-3-11(17)9(15)4-10(7)16/h3-6,12,20H,18H2,1-2H3.
What are the key properties of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2,5-difluorophenyl)methyl]hydrazine?
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2,5-difluorophenyl)methyl]hydrazine has a molecular weight of 379.64 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2,5-difluorophenyl)methyl]hydrazine is sourced from PubChem (CID 105337011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).