3-(4-bromopyrazol-1-yl)-N-cyclohexylpropanamide

C12H18BrN3O — CID 19561744

IUPAC3-(4-bromopyrazol-1-yl)-N-cyclohexylpropanamide
SMILESO=C(CCn1cc(Br)cn1)NC1CCCCC1
InChIInChI=1S/C12H18BrN3O/c13-10-8-14-16(9-10)7-6-12(17)15-11-4-2-1-3-5-11/h8-9,11H,1-7H2,(H,15,17)
InChIKeyCGTMPQPFPNKOKR-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.48
Rot. Bonds4

About 3-(4-bromopyrazol-1-yl)-N-cyclohexylpropanamide

3-(4-bromopyrazol-1-yl)-N-cyclohexylpropanamide (PubChem CID 19561744) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-N-cyclohexylpropanamide
PubChem CID19561744
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name3-(4-bromopyrazol-1-yl)-N-cyclohexylpropanamide
SMILESO=C(CCn1cc(Br)cn1)NC1CCCCC1
InChIInChI=1S/C12H18BrN3O/c13-10-8-14-16(9-10)7-6-12(17)15-11-4-2-1-3-5-11/h8-9,11H,1-7H2,(H,15,17)
InChIKeyCGTMPQPFPNKOKR-UHFFFAOYSA-N
XLogP2.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-(4-methylpyrazol-1-yl)propanamide
CID 19559575
1-[3-(cyclopropylamino)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19622515
N-cyclooctyl-3-(1,2,4-triazol-1-yl)propanamide
CID 31336018
2-[2-(4-bromopyrazol-1-yl)ethyl]-1-cyclopentylguanidine;hydroiodide
CID 120973646
2-(4-bromopyrazol-1-yl)-1-cyclohexylethanone
CID 115641053
3-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622223
3-(4-bromopyrazol-1-yl)-N-cyclopentyl-N-methylpropanamide
CID 154834622
2-(4-bromopyrazol-1-yl)-N-(cyclohexylmethyl)ethanamine
CID 62566245
N-(azetidin-3-yl)-2-(4-bromopyrazol-1-yl)acetamide;hydrochloride
CID 131031462
3-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide
CID 155963075
2-(4-bromopyrazol-1-yl)-N-cyclooctylpropanamide
CID 154834581
3-(4-chloro-3-methylpyrazol-1-yl)-N-cyclohexylpropanamide
CID 19544037

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)-N-cyclohexylpropanamide?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-N-cyclohexylpropanamide (CID 19561744) is 3-(4-bromopyrazol-1-yl)-N-cyclohexylpropanamide.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-N-cyclohexylpropanamide?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-N-cyclohexylpropanamide is O=C(CCn1cc(Br)cn1)NC1CCCCC1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-N-cyclohexylpropanamide?
The InChIKey is CGTMPQPFPNKOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c13-10-8-14-16(9-10)7-6-12(17)15-11-4-2-1-3-5-11/h8-9,11H,1-7H2,(H,15,17).
What are the key properties of 3-(4-bromopyrazol-1-yl)-N-cyclohexylpropanamide?
3-(4-bromopyrazol-1-yl)-N-cyclohexylpropanamide has a molecular weight of 300.20 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)-N-cyclohexylpropanamide is sourced from PubChem (CID 19561744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).