1-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine

C15H28ClN5 — CID 105243365

IUPAC1-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine
SMILESCc1nn(C)c(Cl)c1CC(NN)C1(N(C)C)CCCCC1
InChIInChI=1S/C15H28ClN5/c1-11-12(14(16)21(4)19-11)10-13(18-17)15(20(2)3)8-6-5-7-9-15/h13,18H,5-10,17H2,1-4H3
InChIKeyWGEJFDZDNHGDGP-UHFFFAOYSA-N
MW313.88 g/mol
LogP2.02
Rot. Bonds5

About 1-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine

1-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 105243365) has the molecular formula C15H28ClN5 and a molecular weight of 313.88 g/mol. Its IUPAC name is 1-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID105243365
Molecular FormulaC15H28ClN5
Molecular Weight313.88 g/mol
Exact Mass313.20
IUPAC Name1-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine
SMILESCc1nn(C)c(Cl)c1CC(NN)C1(N(C)C)CCCCC1
InChIInChI=1S/C15H28ClN5/c1-11-12(14(16)21(4)19-11)10-13(18-17)15(20(2)3)8-6-5-7-9-15/h13,18H,5-10,17H2,1-4H3
InChIKeyWGEJFDZDNHGDGP-UHFFFAOYSA-N
XLogP2.02
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.88
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(1-methylcyclohexyl)ethanamine
CID 106830549
1-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-hydrazinylethyl]-N,N-dimethylcyclopentan-1-amine
CID 105242289
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]cyclooctan-1-amine
CID 113470743
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cycloheptylpropan-2-yl]hydrazine
CID 105333976
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
CID 116714555
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 113470301
1-[1-hydrazinyl-2-(4-methylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243879
1-[2-(2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine
CID 105243271
1-[1-hydrazinyl-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 105243166
1-[2-(3-chloro-4-pyridinyl)-1-hydrazinylethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243834
1-(5-chloro-1,3-dimethylpyrazol-4-yl)hexan-2-ylhydrazine
CID 105245830
[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105228861

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine (CID 105243365) is 1-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine is Cc1nn(C)c(Cl)c1CC(NN)C1(N(C)C)CCCCC1.
What is the InChIKey of 1-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is WGEJFDZDNHGDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClN5/c1-11-12(14(16)21(4)19-11)10-13(18-17)15(20(2)3)8-6-5-7-9-15/h13,18H,5-10,17H2,1-4H3.
What are the key properties of 1-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine?
1-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 313.88 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 105243365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).