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

C14H17Cl2FN4 — CID 105264489

IUPAC[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-chloro-2-fluorophenyl)propan-2-yl]hydrazine
SMILESCc1nn(C)c(Cl)c1CC(Cc1cccc(Cl)c1F)NN
InChIInChI=1S/C14H17Cl2FN4/c1-8-11(14(16)21(2)20-8)7-10(19-18)6-9-4-3-5-12(15)13(9)17/h3-5,10,19H,6-7,18H2,1-2H3
InChIKeyKAAOPTDQNFZIHM-UHFFFAOYSA-N
MW331.22 g/mol
LogP2.79
Rot. Bonds5

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

[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-chloro-2-fluorophenyl)propan-2-yl]hydrazine (PubChem CID 105264489) has the molecular formula C14H17Cl2FN4 and a molecular weight of 331.22 g/mol. Its IUPAC name is [1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-chloro-2-fluorophenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-chloro-2-fluorophenyl)propan-2-yl]hydrazine
PubChem CID105264489
Molecular FormulaC14H17Cl2FN4
Molecular Weight331.22 g/mol
Exact Mass330.08
IUPAC Name[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-chloro-2-fluorophenyl)propan-2-yl]hydrazine
SMILESCc1nn(C)c(Cl)c1CC(Cc1cccc(Cl)c1F)NN
InChIInChI=1S/C14H17Cl2FN4/c1-8-11(14(16)21(2)20-8)7-10(19-18)6-9-4-3-5-12(15)13(9)17/h3-5,10,19H,6-7,18H2,1-2H3
InChIKeyKAAOPTDQNFZIHM-UHFFFAOYSA-N
XLogP2.79
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 52.79
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-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chloro-6-fluorophenyl)propan-2-yl]hydrazine
CID 105216057
[1-(3-chloro-2-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105264351
[1-(2-chloro-6-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine
CID 105289114
[1-(3-chloro-2-fluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105264290
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chlorophenyl)sulfanylpropan-2-yl]hydrazine
CID 105237757
[1-(3-chloro-2-fluorophenyl)-3-(2-chlorophenyl)propan-2-yl]hydrazine
CID 105264393
[1-(3-chloro-2-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105264289
1-(5-chloro-1,3-dimethylpyrazol-4-yl)hexan-2-ylhydrazine
CID 105245830
[1-(2,6-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-yl]hydrazine
CID 105209834
[1-(3-chloro-2-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-yl]hydrazine
CID 105264302
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-5-methoxypentan-2-yl]hydrazine
CID 105225160
[1-(3-chloro-2-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 105264431

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-chloro-2-fluorophenyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-chloro-2-fluorophenyl)propan-2-yl]hydrazine (CID 105264489) is [1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-chloro-2-fluorophenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-chloro-2-fluorophenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-chloro-2-fluorophenyl)propan-2-yl]hydrazine is Cc1nn(C)c(Cl)c1CC(Cc1cccc(Cl)c1F)NN.
What is the InChIKey of [1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-chloro-2-fluorophenyl)propan-2-yl]hydrazine?
The InChIKey is KAAOPTDQNFZIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2FN4/c1-8-11(14(16)21(2)20-8)7-10(19-18)6-9-4-3-5-12(15)13(9)17/h3-5,10,19H,6-7,18H2,1-2H3.
What are the key properties of [1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-chloro-2-fluorophenyl)propan-2-yl]hydrazine?
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-chloro-2-fluorophenyl)propan-2-yl]hydrazine has a molecular weight of 331.22 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-chloro-2-fluorophenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105264489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).