[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chloro-6-fluorophenyl)propan-2-yl]hydrazine

C14H17Cl2FN4 — CID 105216057

IUPAC[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chloro-6-fluorophenyl)propan-2-yl]hydrazine
SMILESCc1nn(C)c(Cl)c1CC(Cc1c(F)cccc1Cl)NN
InChIInChI=1S/C14H17Cl2FN4/c1-8-10(14(16)21(2)20-8)6-9(19-18)7-11-12(15)4-3-5-13(11)17/h3-5,9,19H,6-7,18H2,1-2H3
InChIKeyLELLYPBFVUSXKF-UHFFFAOYSA-N
MW331.22 g/mol
LogP2.79
Rot. Bonds5

About [1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chloro-6-fluorophenyl)propan-2-yl]hydrazine

[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chloro-6-fluorophenyl)propan-2-yl]hydrazine (PubChem CID 105216057) 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-(2-chloro-6-fluorophenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chloro-6-fluorophenyl)propan-2-yl]hydrazine
PubChem CID105216057
Molecular FormulaC14H17Cl2FN4
Molecular Weight331.22 g/mol
Exact Mass330.08
IUPAC Name[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chloro-6-fluorophenyl)propan-2-yl]hydrazine
SMILESCc1nn(C)c(Cl)c1CC(Cc1c(F)cccc1Cl)NN
InChIInChI=1S/C14H17Cl2FN4/c1-8-10(14(16)21(2)20-8)6-9(19-18)7-11-12(15)4-3-5-13(11)17/h3-5,9,19H,6-7,18H2,1-2H3
InChIKeyLELLYPBFVUSXKF-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'}

Analyze [1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chloro-6-fluorophenyl)propan-2-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2-chloro-6-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine
CID 105289114
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-chloro-2-fluorophenyl)propan-2-yl]hydrazine
CID 105264489
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chlorophenyl)sulfanylpropan-2-yl]hydrazine
CID 105237757
[1-(2-chloro-6-fluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-yl]hydrazine
CID 105216048
[1-(2-chloro-6-fluorophenyl)-3-methylsulfanylpropan-2-yl]hydrazine
CID 105213730
[1-(2-chloro-3-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-yl]hydrazine
CID 105215908
1-(5-chloro-1,3-dimethylpyrazol-4-yl)hexan-2-ylhydrazine
CID 105245830
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-5-methoxypentan-2-yl]hydrazine
CID 105225160
[1-(2-chloro-6-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine
CID 105289068
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151456
(2-chloro-6-fluorophenyl)methyl 5-chloro-1,3-dimethylpyrazole-4-carboxylate
CID 46693449
[1-(2-chloro-4-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-yl]hydrazine
CID 105215894

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chloro-6-fluorophenyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chloro-6-fluorophenyl)propan-2-yl]hydrazine (CID 105216057) is [1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chloro-6-fluorophenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chloro-6-fluorophenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chloro-6-fluorophenyl)propan-2-yl]hydrazine is Cc1nn(C)c(Cl)c1CC(Cc1c(F)cccc1Cl)NN.
What is the InChIKey of [1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chloro-6-fluorophenyl)propan-2-yl]hydrazine?
The InChIKey is LELLYPBFVUSXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2FN4/c1-8-10(14(16)21(2)20-8)6-9(19-18)7-11-12(15)4-3-5-13(11)17/h3-5,9,19H,6-7,18H2,1-2H3.
What are the key properties of [1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chloro-6-fluorophenyl)propan-2-yl]hydrazine?
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chloro-6-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-(2-chloro-6-fluorophenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105216057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).