(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanone

C13H19BrN2O — CID 115805221

IUPAC(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanone
SMILESCC(C)n1ncc(Br)c1C(=O)C1(C)CCCC1
InChIInChI=1S/C13H19BrN2O/c1-9(2)16-11(10(14)8-15-16)12(17)13(3)6-4-5-7-13/h8-9H,4-7H2,1-3H3
InChIKeyUSDDDOWCSSRBMM-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.99
Rot. Bonds3

About (4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanone

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanone (PubChem CID 115805221) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanone.

Molecular Properties

Compound Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanone
PubChem CID115805221
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanone
SMILESCC(C)n1ncc(Br)c1C(=O)C1(C)CCCC1
InChIInChI=1S/C13H19BrN2O/c1-9(2)16-11(10(14)8-15-16)12(17)13(3)6-4-5-7-13/h8-9H,4-7H2,1-3H3
InChIKeyUSDDDOWCSSRBMM-UHFFFAOYSA-N
XLogP3.99
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(1-methylcyclopentyl)methanone
CID 115804119
(4-bromo-1-propan-2-ylpyrazol-5-yl)-cyclopropylmethanone
CID 114639277
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-chloro-2,2-difluoroethanone
CID 114642269
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylbut-2-en-1-one
CID 103455630
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,2-difluoropropan-1-one
CID 130648385
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,5-dibromophenyl)methanone
CID 107977405
azetidin-3-yl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanone
CID 114669872
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylcyclopentyl)methanone
CID 107187514
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 114642283
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylcyclopropyl)methanone
CID 114641724
3-amino-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)butan-1-one
CID 114668506
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-methylcyclohexyl)methanone
CID 114639673

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanone?
The IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanone (CID 115805221) is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanone.
What is the SMILES notation for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanone?
The canonical SMILES for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanone is CC(C)n1ncc(Br)c1C(=O)C1(C)CCCC1.
What is the InChIKey of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanone?
The InChIKey is USDDDOWCSSRBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-9(2)16-11(10(14)8-15-16)12(17)13(3)6-4-5-7-13/h8-9H,4-7H2,1-3H3.
What are the key properties of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanone?
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanone has a molecular weight of 299.21 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanone is sourced from PubChem (CID 115805221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).