N-cyclohexyl-2-(3,5-dibromopyrazol-1-yl)acetamide

C11H15Br2N3O — CID 114692778

IUPACN-cyclohexyl-2-(3,5-dibromopyrazol-1-yl)acetamide
SMILESO=C(Cn1nc(Br)cc1Br)NC1CCCCC1
InChIInChI=1S/C11H15Br2N3O/c12-9-6-10(13)16(15-9)7-11(17)14-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H,14,17)
InChIKeyPVJWYDFNZGYTMA-UHFFFAOYSA-N
MW365.07 g/mol
LogP2.86
Rot. Bonds3

About N-cyclohexyl-2-(3,5-dibromopyrazol-1-yl)acetamide

N-cyclohexyl-2-(3,5-dibromopyrazol-1-yl)acetamide (PubChem CID 114692778) has the molecular formula C11H15Br2N3O and a molecular weight of 365.07 g/mol. Its IUPAC name is N-cyclohexyl-2-(3,5-dibromopyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3,5-dibromopyrazol-1-yl)acetamide
PubChem CID114692778
Molecular FormulaC11H15Br2N3O
Molecular Weight365.07 g/mol
Exact Mass362.96
IUPAC NameN-cyclohexyl-2-(3,5-dibromopyrazol-1-yl)acetamide
SMILESO=C(Cn1nc(Br)cc1Br)NC1CCCCC1
InChIInChI=1S/C11H15Br2N3O/c12-9-6-10(13)16(15-9)7-11(17)14-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H,14,17)
InChIKeyPVJWYDFNZGYTMA-UHFFFAOYSA-N
XLogP2.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.07
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 54901941
N-cyclohexyl-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 749619
N-cyclooctyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 39954322
N-cyclopropyl-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
CID 75465729
N-cyclooctyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053338
N-cyclooctyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179223
N-cycloheptyl-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 19527311
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide
CID 114583697
2-(6-chloroindazol-1-yl)-N-cyclohexylacetamide
CID 22510003
N-cyclohexyl-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide
CID 103219584
N-cyclohexyl-2-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 6490107
2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopentylacetamide
CID 78961186

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3,5-dibromopyrazol-1-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(3,5-dibromopyrazol-1-yl)acetamide (CID 114692778) is N-cyclohexyl-2-(3,5-dibromopyrazol-1-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(3,5-dibromopyrazol-1-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(3,5-dibromopyrazol-1-yl)acetamide is O=C(Cn1nc(Br)cc1Br)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(3,5-dibromopyrazol-1-yl)acetamide?
The InChIKey is PVJWYDFNZGYTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2N3O/c12-9-6-10(13)16(15-9)7-11(17)14-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H,14,17).
What are the key properties of N-cyclohexyl-2-(3,5-dibromopyrazol-1-yl)acetamide?
N-cyclohexyl-2-(3,5-dibromopyrazol-1-yl)acetamide has a molecular weight of 365.07 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3,5-dibromopyrazol-1-yl)acetamide is sourced from PubChem (CID 114692778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).