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

C13H19BrN2O — CID 107187514

IUPAC(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylcyclopentyl)methanone
SMILESCC1CCCC1C(=O)c1c(Br)cnn1C(C)C
InChIInChI=1S/C13H19BrN2O/c1-8(2)16-12(11(14)7-15-16)13(17)10-6-4-5-9(10)3/h7-10H,4-6H2,1-3H3
InChIKeyGFRAXTRNNWPIJV-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.85
Rot. Bonds3

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

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylcyclopentyl)methanone (PubChem CID 107187514) 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)-(2-methylcyclopentyl)methanone.

Molecular Properties

Compound Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylcyclopentyl)methanone
PubChem CID107187514
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylcyclopentyl)methanone
SMILESCC1CCCC1C(=O)c1c(Br)cnn1C(C)C
InChIInChI=1S/C13H19BrN2O/c1-8(2)16-12(11(14)7-15-16)13(17)10-6-4-5-9(10)3/h7-10H,4-6H2,1-3H3
InChIKeyGFRAXTRNNWPIJV-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-propan-2-ylpyrazol-5-yl)-cyclopropylmethanone
CID 114639277
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyloxolan-3-yl)methanone
CID 115805405
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-methylcyclohexyl)methanone
CID 114639673
azetidin-3-yl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanone
CID 114669872
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 114642283
(2-aminocyclopentyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
CID 114669693
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,4-dithian-2-yl)methanone
CID 114641542
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,2-difluoropropan-1-one
CID 130648385
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanone
CID 115805221
3-amino-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-cyclopropylpropan-1-one
CID 114671070
(2-aminocycloheptyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
CID 114670428
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,5-dibromophenyl)methanone
CID 107977405

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylcyclopentyl)methanone?
The IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylcyclopentyl)methanone (CID 107187514) is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylcyclopentyl)methanone.
What is the SMILES notation for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylcyclopentyl)methanone?
The canonical SMILES for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylcyclopentyl)methanone is CC1CCCC1C(=O)c1c(Br)cnn1C(C)C.
What is the InChIKey of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylcyclopentyl)methanone?
The InChIKey is GFRAXTRNNWPIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-8(2)16-12(11(14)7-15-16)13(17)10-6-4-5-9(10)3/h7-10H,4-6H2,1-3H3.
What are the key properties of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylcyclopentyl)methanone?
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylcyclopentyl)methanone has a molecular weight of 299.21 g/mol, XLogP of 3.85, 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)-(2-methylcyclopentyl)methanone is sourced from PubChem (CID 107187514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).