1-(5-chloro-1,3-dimethylpyrazol-4-yl)hexan-2-ylhydrazine

C11H21ClN4 — CID 105245830

IUPAC1-(5-chloro-1,3-dimethylpyrazol-4-yl)hexan-2-ylhydrazine
SMILESCCCCC(Cc1c(C)nn(C)c1Cl)NN
InChIInChI=1S/C11H21ClN4/c1-4-5-6-9(14-13)7-10-8(2)15-16(3)11(10)12/h9,14H,4-7,13H2,1-3H3
InChIKeySSBXNNOEJUWKMN-UHFFFAOYSA-N
MW244.77 g/mol
LogP1.95
Rot. Bonds6

About 1-(5-chloro-1,3-dimethylpyrazol-4-yl)hexan-2-ylhydrazine

1-(5-chloro-1,3-dimethylpyrazol-4-yl)hexan-2-ylhydrazine (PubChem CID 105245830) has the molecular formula C11H21ClN4 and a molecular weight of 244.77 g/mol. Its IUPAC name is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)hexan-2-ylhydrazine.

Molecular Properties

Compound Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)hexan-2-ylhydrazine
PubChem CID105245830
Molecular FormulaC11H21ClN4
Molecular Weight244.77 g/mol
Exact Mass244.15
IUPAC Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)hexan-2-ylhydrazine
SMILESCCCCC(Cc1c(C)nn(C)c1Cl)NN
InChIInChI=1S/C11H21ClN4/c1-4-5-6-9(14-13)7-10-8(2)15-16(3)11(10)12/h9,14H,4-7,13H2,1-3H3
InChIKeySSBXNNOEJUWKMN-UHFFFAOYSA-N
XLogP1.95
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.77
LogP ≤ 51.95
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)-5-methoxypentan-2-yl]hydrazine
CID 105225160
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151456
1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ylhydrazine
CID 105293836
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cycloheptylpropan-2-yl]hydrazine
CID 105333976
[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-chloro-6-fluorophenyl)propan-2-yl]hydrazine
CID 105216057
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chlorophenyl)sulfanylpropan-2-yl]hydrazine
CID 105237757
[5-chloro-1-(4-chloro-1,3-dimethylpyrazol-5-yl)pentan-2-yl]hydrazine
CID 105235793
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine
CID 103477685
4-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-methyl-N-propylbutan-1-amine
CID 113470792
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-5,5,5-trifluoro-N-methylpentan-2-amine
CID 113470313
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-3-propylsulfanylpropan-2-amine
CID 113470284

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)hexan-2-ylhydrazine?
The IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)hexan-2-ylhydrazine (CID 105245830) is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)hexan-2-ylhydrazine.
What is the SMILES notation for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)hexan-2-ylhydrazine?
The canonical SMILES for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)hexan-2-ylhydrazine is CCCCC(Cc1c(C)nn(C)c1Cl)NN.
What is the InChIKey of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)hexan-2-ylhydrazine?
The InChIKey is SSBXNNOEJUWKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClN4/c1-4-5-6-9(14-13)7-10-8(2)15-16(3)11(10)12/h9,14H,4-7,13H2,1-3H3.
What are the key properties of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)hexan-2-ylhydrazine?
1-(5-chloro-1,3-dimethylpyrazol-4-yl)hexan-2-ylhydrazine has a molecular weight of 244.77 g/mol, XLogP of 1.95, 6 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)hexan-2-ylhydrazine is sourced from PubChem (CID 105245830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).