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

C13H15BrN2O2 — CID 115805217

IUPAC(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanone
SMILESCCc1ccc(C(=O)c2c(Br)cnn2C(C)C)o1
InChIInChI=1S/C13H15BrN2O2/c1-4-9-5-6-11(18-9)13(17)12-10(14)7-15-16(12)8(2)3/h5-8H,4H2,1-3H3
InChIKeyHEIHVQRTBMOEEW-UHFFFAOYSA-N
MW311.18 g/mol
LogP3.61
Rot. Bonds4

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

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanone (PubChem CID 115805217) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanone
PubChem CID115805217
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanone
SMILESCCc1ccc(C(=O)c2c(Br)cnn2C(C)C)o1
InChIInChI=1S/C13H15BrN2O2/c1-4-9-5-6-11(18-9)13(17)12-10(14)7-15-16(12)8(2)3/h5-8H,4H2,1-3H3
InChIKeyHEIHVQRTBMOEEW-UHFFFAOYSA-N
XLogP3.61
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanone
CID 114639043
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,5-dibromophenyl)methanone
CID 107977405
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105130889
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 105130796
(4-bromo-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone
CID 114639812
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
CID 105042324
2-amino-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-ethylbutan-1-one
CID 114670308
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanone
CID 115805221
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 105130816
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-(4-methoxyphenyl)propan-1-one
CID 115805173
3-amino-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)butan-1-one
CID 114668506
(5-ethylfuran-2-yl)-(2-methylpyrazol-3-yl)methanone
CID 114972553

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanone?
The IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanone (CID 115805217) is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanone.
What is the SMILES notation for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanone?
The canonical SMILES for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanone is CCc1ccc(C(=O)c2c(Br)cnn2C(C)C)o1.
What is the InChIKey of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanone?
The InChIKey is HEIHVQRTBMOEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-4-9-5-6-11(18-9)13(17)12-10(14)7-15-16(12)8(2)3/h5-8H,4H2,1-3H3.
What are the key properties of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanone?
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanone has a molecular weight of 311.18 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanone is sourced from PubChem (CID 115805217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).