(3-bromofuran-2-yl)-(1-phenylpyrazol-3-yl)methanone

C14H9BrN2O2 — CID 105101622

IUPAC(3-bromofuran-2-yl)-(1-phenylpyrazol-3-yl)methanone
SMILESO=C(c1ccn(-c2ccccc2)n1)c1occc1Br
InChIInChI=1S/C14H9BrN2O2/c15-11-7-9-19-14(11)13(18)12-6-8-17(16-12)10-4-2-1-3-5-10/h1-9H
InChIKeyFVNXDMLGNXZJGX-UHFFFAOYSA-N
MW317.14 g/mol
LogP3.46
Rot. Bonds3

About (3-bromofuran-2-yl)-(1-phenylpyrazol-3-yl)methanone

(3-bromofuran-2-yl)-(1-phenylpyrazol-3-yl)methanone (PubChem CID 105101622) has the molecular formula C14H9BrN2O2 and a molecular weight of 317.14 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(1-phenylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(1-phenylpyrazol-3-yl)methanone
PubChem CID105101622
Molecular FormulaC14H9BrN2O2
Molecular Weight317.14 g/mol
Exact Mass315.98
IUPAC Name(3-bromofuran-2-yl)-(1-phenylpyrazol-3-yl)methanone
SMILESO=C(c1ccn(-c2ccccc2)n1)c1occc1Br
InChIInChI=1S/C14H9BrN2O2/c15-11-7-9-19-14(11)13(18)12-6-8-17(16-12)10-4-2-1-3-5-10/h1-9H
InChIKeyFVNXDMLGNXZJGX-UHFFFAOYSA-N
XLogP3.46
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-phenylpyrazole-3-carboxylic acid
CID 177006873
1-phenylpyrazole-3-carbonyl isocyanate
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2-(4-bromophenyl)-1-(1-phenylpyrazol-3-yl)ethanone
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(1-methylimidazol-2-yl)-(1-phenylpyrazol-3-yl)methanone
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2-(3-bromothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanone
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(4-fluoro-2-methylphenyl)-(1-phenylpyrazol-3-yl)methanone
CID 105095655
1-phenyl-N'-(2-phenylacetyl)pyrazole-3-carbohydrazide
CID 46450468
(6-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)-(1-phenylpyrazol-3-yl)methanone
CID 100668081
2-[cyclopropyl-(1-phenylpyrazole-3-carbonyl)amino]acetic acid
CID 60827395
3-methyl-1-(1-phenylpyrazol-3-yl)hexan-1-one
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methyl (2S)-2-[(1-phenylpyrazole-3-carbonyl)amino]propanoate
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Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(1-phenylpyrazol-3-yl)methanone?
The IUPAC name of (3-bromofuran-2-yl)-(1-phenylpyrazol-3-yl)methanone (CID 105101622) is (3-bromofuran-2-yl)-(1-phenylpyrazol-3-yl)methanone.
What is the SMILES notation for (3-bromofuran-2-yl)-(1-phenylpyrazol-3-yl)methanone?
The canonical SMILES for (3-bromofuran-2-yl)-(1-phenylpyrazol-3-yl)methanone is O=C(c1ccn(-c2ccccc2)n1)c1occc1Br.
What is the InChIKey of (3-bromofuran-2-yl)-(1-phenylpyrazol-3-yl)methanone?
The InChIKey is FVNXDMLGNXZJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O2/c15-11-7-9-19-14(11)13(18)12-6-8-17(16-12)10-4-2-1-3-5-10/h1-9H.
What are the key properties of (3-bromofuran-2-yl)-(1-phenylpyrazol-3-yl)methanone?
(3-bromofuran-2-yl)-(1-phenylpyrazol-3-yl)methanone has a molecular weight of 317.14 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(1-phenylpyrazol-3-yl)methanone is sourced from PubChem (CID 105101622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).