[1-(2-chloro-4-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]hydrazine

C15H20ClFN4 — CID 105216085

IUPAC[1-(2-chloro-4-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]hydrazine
SMILESCC(C)n1ccc(CC(Cc2ccc(F)cc2Cl)NN)n1
InChIInChI=1S/C15H20ClFN4/c1-10(2)21-6-5-13(20-21)9-14(19-18)7-11-3-4-12(17)8-15(11)16/h3-6,8,10,14,19H,7,9,18H2,1-2H3
InChIKeyMVLAOKSHAQBSGM-UHFFFAOYSA-N
MW310.80 g/mol
LogP2.87
Rot. Bonds6

About [1-(2-chloro-4-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]hydrazine

[1-(2-chloro-4-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]hydrazine (PubChem CID 105216085) has the molecular formula C15H20ClFN4 and a molecular weight of 310.80 g/mol. Its IUPAC name is [1-(2-chloro-4-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-chloro-4-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]hydrazine
PubChem CID105216085
Molecular FormulaC15H20ClFN4
Molecular Weight310.80 g/mol
Exact Mass310.14
IUPAC Name[1-(2-chloro-4-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]hydrazine
SMILESCC(C)n1ccc(CC(Cc2ccc(F)cc2Cl)NN)n1
InChIInChI=1S/C15H20ClFN4/c1-10(2)21-6-5-13(20-21)9-14(19-18)7-11-3-4-12(17)8-15(11)16/h3-6,8,10,14,19H,7,9,18H2,1-2H3
InChIKeyMVLAOKSHAQBSGM-UHFFFAOYSA-N
XLogP2.87
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.80
LogP ≤ 52.87
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

[1-(3-chloro-2-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105264289
[1-(2-chloro-4-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105215278
[1-(2-chloro-4-fluorophenyl)-3-(1-methyltriazol-4-yl)propan-2-yl]hydrazine
CID 107066047
[1-(2-chloro-4-fluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105216212
[1-(3,4-difluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105312820
1-(1-butan-2-ylpyrazol-3-yl)-3-(2-chloro-4-fluorophenyl)propan-2-amine
CID 64777248
[1-(2-chloro-4-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine
CID 105295227
[1-(2-chloro-4-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105212582
1-(2-chloro-4-fluorophenyl)-N-ethyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 64771568
[1-(2-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)propan-2-yl]hydrazine
CID 105205338
[1-(2-bromo-4-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312714
[1-(4-bromo-2-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-yl]hydrazine
CID 105216081

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-4-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]hydrazine?
The IUPAC name of [1-(2-chloro-4-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]hydrazine (CID 105216085) is [1-(2-chloro-4-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-chloro-4-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(2-chloro-4-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]hydrazine is CC(C)n1ccc(CC(Cc2ccc(F)cc2Cl)NN)n1.
What is the InChIKey of [1-(2-chloro-4-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]hydrazine?
The InChIKey is MVLAOKSHAQBSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN4/c1-10(2)21-6-5-13(20-21)9-14(19-18)7-11-3-4-12(17)8-15(11)16/h3-6,8,10,14,19H,7,9,18H2,1-2H3.
What are the key properties of [1-(2-chloro-4-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]hydrazine?
[1-(2-chloro-4-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]hydrazine has a molecular weight of 310.80 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-4-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]hydrazine is sourced from PubChem (CID 105216085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).