[1-(3-chloro-4-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine

C15H20ClFN4 — CID 103044302

IUPAC[1-(3-chloro-4-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine
SMILESCc1nn(C)c(C)c1CC(Cc1ccc(F)c(Cl)c1)NN
InChIInChI=1S/C15H20ClFN4/c1-9-13(10(2)21(3)20-9)8-12(19-18)6-11-4-5-15(17)14(16)7-11/h4-5,7,12,19H,6,8,18H2,1-3H3
InChIKeyYTPZXTSTBJKQJZ-UHFFFAOYSA-N
MW310.80 g/mol
LogP2.45
Rot. Bonds5

About [1-(3-chloro-4-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine

[1-(3-chloro-4-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine (PubChem CID 103044302) has the molecular formula C15H20ClFN4 and a molecular weight of 310.80 g/mol. Its IUPAC name is [1-(3-chloro-4-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-chloro-4-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine
PubChem CID103044302
Molecular FormulaC15H20ClFN4
Molecular Weight310.80 g/mol
Exact Mass310.14
IUPAC Name[1-(3-chloro-4-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine
SMILESCc1nn(C)c(C)c1CC(Cc1ccc(F)c(Cl)c1)NN
InChIInChI=1S/C15H20ClFN4/c1-9-13(10(2)21(3)20-9)8-12(19-18)6-11-4-5-15(17)14(16)7-11/h4-5,7,12,19H,6,8,18H2,1-3H3
InChIKeyYTPZXTSTBJKQJZ-UHFFFAOYSA-N
XLogP2.45
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.80
LogP ≤ 52.45
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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Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine?
The IUPAC name of [1-(3-chloro-4-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine (CID 103044302) is [1-(3-chloro-4-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-chloro-4-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(3-chloro-4-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine is Cc1nn(C)c(C)c1CC(Cc1ccc(F)c(Cl)c1)NN.
What is the InChIKey of [1-(3-chloro-4-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine?
The InChIKey is YTPZXTSTBJKQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN4/c1-9-13(10(2)21(3)20-9)8-12(19-18)6-11-4-5-15(17)14(16)7-11/h4-5,7,12,19H,6,8,18H2,1-3H3.
What are the key properties of [1-(3-chloro-4-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine?
[1-(3-chloro-4-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine has a molecular weight of 310.80 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine is sourced from PubChem (CID 103044302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).