4-(4-bromopyrazol-1-yl)cyclohexane-1-carbohydrazide

C10H15BrN4O — CID 142544413

IUPAC4-(4-bromopyrazol-1-yl)cyclohexane-1-carbohydrazide
SMILESNNC(=O)C1CCC(n2cc(Br)cn2)CC1
InChIInChI=1S/C10H15BrN4O/c11-8-5-13-15(6-8)9-3-1-7(2-4-9)10(16)14-12/h5-7,9H,1-4,12H2,(H,14,16)
InChIKeyDMYRWVSYRFLEKR-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.37
Rot. Bonds2

About 4-(4-bromopyrazol-1-yl)cyclohexane-1-carbohydrazide

4-(4-bromopyrazol-1-yl)cyclohexane-1-carbohydrazide (PubChem CID 142544413) has the molecular formula C10H15BrN4O and a molecular weight of 287.16 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)cyclohexane-1-carbohydrazide.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)cyclohexane-1-carbohydrazide
PubChem CID142544413
Molecular FormulaC10H15BrN4O
Molecular Weight287.16 g/mol
Exact Mass286.04
IUPAC Name4-(4-bromopyrazol-1-yl)cyclohexane-1-carbohydrazide
SMILESNNC(=O)C1CCC(n2cc(Br)cn2)CC1
InChIInChI=1S/C10H15BrN4O/c11-8-5-13-15(6-8)9-3-1-7(2-4-9)10(16)14-12/h5-7,9H,1-4,12H2,(H,14,16)
InChIKeyDMYRWVSYRFLEKR-UHFFFAOYSA-N
XLogP1.37
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)cyclohexane-1-carbohydrazide?
The IUPAC name of 4-(4-bromopyrazol-1-yl)cyclohexane-1-carbohydrazide (CID 142544413) is 4-(4-bromopyrazol-1-yl)cyclohexane-1-carbohydrazide.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)cyclohexane-1-carbohydrazide?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)cyclohexane-1-carbohydrazide is NNC(=O)C1CCC(n2cc(Br)cn2)CC1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)cyclohexane-1-carbohydrazide?
The InChIKey is DMYRWVSYRFLEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O/c11-8-5-13-15(6-8)9-3-1-7(2-4-9)10(16)14-12/h5-7,9H,1-4,12H2,(H,14,16).
What are the key properties of 4-(4-bromopyrazol-1-yl)cyclohexane-1-carbohydrazide?
4-(4-bromopyrazol-1-yl)cyclohexane-1-carbohydrazide has a molecular weight of 287.16 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)cyclohexane-1-carbohydrazide is sourced from PubChem (CID 142544413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).