3-(4-bromo-3-methylpyrazol-1-yl)-N-cyclopentylpropanamide

C12H18BrN3O — CID 19584292

IUPAC3-(4-bromo-3-methylpyrazol-1-yl)-N-cyclopentylpropanamide
SMILESCc1nn(CCC(=O)NC2CCCC2)cc1Br
InChIInChI=1S/C12H18BrN3O/c1-9-11(13)8-16(15-9)7-6-12(17)14-10-4-2-3-5-10/h8,10H,2-7H2,1H3,(H,14,17)
InChIKeyHTTLJINATJXXPD-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.40
Rot. Bonds4

About 3-(4-bromo-3-methylpyrazol-1-yl)-N-cyclopentylpropanamide

3-(4-bromo-3-methylpyrazol-1-yl)-N-cyclopentylpropanamide (PubChem CID 19584292) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 3-(4-bromo-3-methylpyrazol-1-yl)-N-cyclopentylpropanamide.

Molecular Properties

Compound Name3-(4-bromo-3-methylpyrazol-1-yl)-N-cyclopentylpropanamide
PubChem CID19584292
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name3-(4-bromo-3-methylpyrazol-1-yl)-N-cyclopentylpropanamide
SMILESCc1nn(CCC(=O)NC2CCCC2)cc1Br
InChIInChI=1S/C12H18BrN3O/c1-9-11(13)8-16(15-9)7-6-12(17)14-10-4-2-3-5-10/h8,10H,2-7H2,1H3,(H,14,17)
InChIKeyHTTLJINATJXXPD-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-methylpyrazol-1-yl)-N-cyclopentylpropanamide?
The IUPAC name of 3-(4-bromo-3-methylpyrazol-1-yl)-N-cyclopentylpropanamide (CID 19584292) is 3-(4-bromo-3-methylpyrazol-1-yl)-N-cyclopentylpropanamide.
What is the SMILES notation for 3-(4-bromo-3-methylpyrazol-1-yl)-N-cyclopentylpropanamide?
The canonical SMILES for 3-(4-bromo-3-methylpyrazol-1-yl)-N-cyclopentylpropanamide is Cc1nn(CCC(=O)NC2CCCC2)cc1Br.
What is the InChIKey of 3-(4-bromo-3-methylpyrazol-1-yl)-N-cyclopentylpropanamide?
The InChIKey is HTTLJINATJXXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-9-11(13)8-16(15-9)7-6-12(17)14-10-4-2-3-5-10/h8,10H,2-7H2,1H3,(H,14,17).
What are the key properties of 3-(4-bromo-3-methylpyrazol-1-yl)-N-cyclopentylpropanamide?
3-(4-bromo-3-methylpyrazol-1-yl)-N-cyclopentylpropanamide has a molecular weight of 300.20 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-methylpyrazol-1-yl)-N-cyclopentylpropanamide is sourced from PubChem (CID 19584292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).