[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methyl]hydrazine

C13H15ClF2N4 — CID 105207979

IUPAC[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methyl]hydrazine
SMILESCC(C)n1ncc(Cl)c1C(NN)c1cc(F)cc(F)c1
InChIInChI=1S/C13H15ClF2N4/c1-7(2)20-13(11(14)6-18-20)12(19-17)8-3-9(15)5-10(16)4-8/h3-7,12,19H,17H2,1-2H3
InChIKeyYFBLGBPYPOYCQB-UHFFFAOYSA-N
MW300.74 g/mol
LogP2.95
Rot. Bonds4

About [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methyl]hydrazine

[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methyl]hydrazine (PubChem CID 105207979) has the molecular formula C13H15ClF2N4 and a molecular weight of 300.74 g/mol. Its IUPAC name is [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methyl]hydrazine
PubChem CID105207979
Molecular FormulaC13H15ClF2N4
Molecular Weight300.74 g/mol
Exact Mass300.10
IUPAC Name[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methyl]hydrazine
SMILESCC(C)n1ncc(Cl)c1C(NN)c1cc(F)cc(F)c1
InChIInChI=1S/C13H15ClF2N4/c1-7(2)20-13(11(14)6-18-20)12(19-17)8-3-9(15)5-10(16)4-8/h3-7,12,19H,17H2,1-2H3
InChIKeyYFBLGBPYPOYCQB-UHFFFAOYSA-N
XLogP2.95
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 52.95
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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Related Compounds

[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105197225
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methanol
CID 114643216
[(2-chloro-3-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105336821
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-methylphenyl)methyl]hydrazine
CID 105336741
[(2-bromo-3-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105336794
[(4-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105222643
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-iodophenyl)methyl]hydrazine
CID 105336809
[(4-bromo-2-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105336738
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thiadiazol-4-yl)methyl]hydrazine
CID 105336778
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105336770
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,4-dichlorophenyl)methyl]hydrazine
CID 105257041
[(3-bromo-5-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105238587

Frequently Asked Questions

What is the IUPAC name of [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methyl]hydrazine?
The IUPAC name of [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methyl]hydrazine (CID 105207979) is [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methyl]hydrazine.
What is the SMILES notation for [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methyl]hydrazine?
The canonical SMILES for [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methyl]hydrazine is CC(C)n1ncc(Cl)c1C(NN)c1cc(F)cc(F)c1.
What is the InChIKey of [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methyl]hydrazine?
The InChIKey is YFBLGBPYPOYCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF2N4/c1-7(2)20-13(11(14)6-18-20)12(19-17)8-3-9(15)5-10(16)4-8/h3-7,12,19H,17H2,1-2H3.
What are the key properties of [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methyl]hydrazine?
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methyl]hydrazine has a molecular weight of 300.74 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methyl]hydrazine is sourced from PubChem (CID 105207979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).