[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-cycloheptylpropan-2-yl]hydrazine

C15H27BrN4 — CID 105317779

IUPAC[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-cycloheptylpropan-2-yl]hydrazine
SMILESCc1nn(C)c(CC(CC2CCCCCC2)NN)c1Br
InChIInChI=1S/C15H27BrN4/c1-11-15(16)14(20(2)19-11)10-13(18-17)9-12-7-5-3-4-6-8-12/h12-13,18H,3-10,17H2,1-2H3
InChIKeyRBALMGHJLULDFC-UHFFFAOYSA-N
MW343.31 g/mol
LogP3.23
Rot. Bonds5

About [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-cycloheptylpropan-2-yl]hydrazine

[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-cycloheptylpropan-2-yl]hydrazine (PubChem CID 105317779) has the molecular formula C15H27BrN4 and a molecular weight of 343.31 g/mol. Its IUPAC name is [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-cycloheptylpropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-cycloheptylpropan-2-yl]hydrazine
PubChem CID105317779
Molecular FormulaC15H27BrN4
Molecular Weight343.31 g/mol
Exact Mass342.14
IUPAC Name[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-cycloheptylpropan-2-yl]hydrazine
SMILESCc1nn(C)c(CC(CC2CCCCCC2)NN)c1Br
InChIInChI=1S/C15H27BrN4/c1-11-15(16)14(20(2)19-11)10-13(18-17)9-12-7-5-3-4-6-8-12/h12-13,18H,3-10,17H2,1-2H3
InChIKeyRBALMGHJLULDFC-UHFFFAOYSA-N
XLogP3.23
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 53.23
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-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-cyclohexylpropan-2-yl]hydrazine
CID 105316689
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-cyclopentylpropan-2-ol
CID 115814579
3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244714
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cycloheptylpropan-2-yl]hydrazine
CID 105333976
[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-methoxybutan-2-yl]hydrazine
CID 105206328
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanol
CID 80603146
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-cyclohexyl-N-methylpropan-2-amine
CID 104998031
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-propyl-3-(thian-4-yl)propan-2-amine
CID 105160914
[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-propoxybutan-2-yl]hydrazine
CID 105317826
[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(4-bromophenyl)propan-2-yl]hydrazine
CID 105195516
[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(4-fluorophenyl)propan-2-yl]hydrazine
CID 105198272
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine
CID 103168966

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-cycloheptylpropan-2-yl]hydrazine?
The IUPAC name of [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-cycloheptylpropan-2-yl]hydrazine (CID 105317779) is [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-cycloheptylpropan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-cycloheptylpropan-2-yl]hydrazine?
The canonical SMILES for [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-cycloheptylpropan-2-yl]hydrazine is Cc1nn(C)c(CC(CC2CCCCCC2)NN)c1Br.
What is the InChIKey of [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-cycloheptylpropan-2-yl]hydrazine?
The InChIKey is RBALMGHJLULDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrN4/c1-11-15(16)14(20(2)19-11)10-13(18-17)9-12-7-5-3-4-6-8-12/h12-13,18H,3-10,17H2,1-2H3.
What are the key properties of [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-cycloheptylpropan-2-yl]hydrazine?
[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-cycloheptylpropan-2-yl]hydrazine has a molecular weight of 343.31 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-cycloheptylpropan-2-yl]hydrazine is sourced from PubChem (CID 105317779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).