[(4-chloro-1-propylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine

C13H14ClF3N4 — CID 105208071

IUPAC[(4-chloro-1-propylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
SMILESCCCn1ncc(Cl)c1C(NN)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H14ClF3N4/c1-2-3-21-13(8(14)6-19-21)12(20-18)7-4-9(15)11(17)10(16)5-7/h4-6,12,20H,2-3,18H2,1H3
InChIKeyONZJYEIXOFZBSG-UHFFFAOYSA-N
MW318.73 g/mol
LogP2.92
Rot. Bonds5

About [(4-chloro-1-propylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine

[(4-chloro-1-propylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine (PubChem CID 105208071) has the molecular formula C13H14ClF3N4 and a molecular weight of 318.73 g/mol. Its IUPAC name is [(4-chloro-1-propylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-chloro-1-propylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
PubChem CID105208071
Molecular FormulaC13H14ClF3N4
Molecular Weight318.73 g/mol
Exact Mass318.09
IUPAC Name[(4-chloro-1-propylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
SMILESCCCn1ncc(Cl)c1C(NN)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H14ClF3N4/c1-2-3-21-13(8(14)6-19-21)12(20-18)7-4-9(15)11(17)10(16)5-7/h4-6,12,20H,2-3,18H2,1H3
InChIKeyONZJYEIXOFZBSG-UHFFFAOYSA-N
XLogP2.92
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.73
LogP ≤ 52.92
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

[(3-bromo-5-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105238587
[(4-chloro-1-propylpyrazol-5-yl)-(4-propan-2-ylphenyl)methyl]hydrazine
CID 105194048
[(3-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105260924
[(4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105197082
[(4-chloro-1-ethylpyrazol-5-yl)-(3-chloro-4-fluorophenyl)methyl]hydrazine
CID 105218119
[(2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 106860223
[(4-chloro-1-propylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]hydrazine
CID 105337137
1-(4-bromo-2,6-difluorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105042724
N-[(4-chloro-1-methylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 114648823
[(1-propylpyrazol-4-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208089
[(3-bromo-4-methoxyphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105337224
[(4-chloro-1-propylpyrazol-5-yl)-(2,3-dichlorophenyl)methyl]hydrazine
CID 105337147

Frequently Asked Questions

What is the IUPAC name of [(4-chloro-1-propylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine?
The IUPAC name of [(4-chloro-1-propylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine (CID 105208071) is [(4-chloro-1-propylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine.
What is the SMILES notation for [(4-chloro-1-propylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine?
The canonical SMILES for [(4-chloro-1-propylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine is CCCn1ncc(Cl)c1C(NN)c1cc(F)c(F)c(F)c1.
What is the InChIKey of [(4-chloro-1-propylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine?
The InChIKey is ONZJYEIXOFZBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N4/c1-2-3-21-13(8(14)6-19-21)12(20-18)7-4-9(15)11(17)10(16)5-7/h4-6,12,20H,2-3,18H2,1H3.
What are the key properties of [(4-chloro-1-propylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine?
[(4-chloro-1-propylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine has a molecular weight of 318.73 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chloro-1-propylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine is sourced from PubChem (CID 105208071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).