4-bromo-N-cyclohexyl-1-methylpyrazole-5-carboxamide

C11H16BrN3O — CID 750357

IUPAC4-bromo-N-cyclohexyl-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Br)c1C(=O)NC1CCCCC1
InChIInChI=1S/C11H16BrN3O/c1-15-10(9(12)7-13-15)11(16)14-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,14,16)
InChIKeySYXYBJHWSSMKKQ-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.25
Rot. Bonds2

About 4-bromo-N-cyclohexyl-1-methylpyrazole-5-carboxamide

4-bromo-N-cyclohexyl-1-methylpyrazole-5-carboxamide (PubChem CID 750357) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 4-bromo-N-cyclohexyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-cyclohexyl-1-methylpyrazole-5-carboxamide
PubChem CID750357
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name4-bromo-N-cyclohexyl-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Br)c1C(=O)NC1CCCCC1
InChIInChI=1S/C11H16BrN3O/c1-15-10(9(12)7-13-15)11(16)14-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,14,16)
InChIKeySYXYBJHWSSMKKQ-UHFFFAOYSA-N
XLogP2.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclohexyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-cyclohexyl-1-methylpyrazole-5-carboxamide (CID 750357) is 4-bromo-N-cyclohexyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-cyclohexyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-cyclohexyl-1-methylpyrazole-5-carboxamide is Cn1ncc(Br)c1C(=O)NC1CCCCC1.
What is the InChIKey of 4-bromo-N-cyclohexyl-1-methylpyrazole-5-carboxamide?
The InChIKey is SYXYBJHWSSMKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-15-10(9(12)7-13-15)11(16)14-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,14,16).
What are the key properties of 4-bromo-N-cyclohexyl-1-methylpyrazole-5-carboxamide?
4-bromo-N-cyclohexyl-1-methylpyrazole-5-carboxamide has a molecular weight of 286.17 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclohexyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 750357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).