(4-bromophenyl)-(1H-pyrazol-4-yl)methanone

C10H7BrN2O — CID 69200129

IUPAC(4-bromophenyl)-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1ccc(Br)cc1)c1cn[nH]c1
InChIInChI=1S/C10H7BrN2O/c11-9-3-1-7(2-4-9)10(14)8-5-12-13-6-8/h1-6H,(H,12,13)
InChIKeyURDOVNFPVKDMNC-UHFFFAOYSA-N
MW251.08 g/mol
LogP2.40
Rot. Bonds2

About (4-bromophenyl)-(1H-pyrazol-4-yl)methanone

(4-bromophenyl)-(1H-pyrazol-4-yl)methanone (PubChem CID 69200129) has the molecular formula C10H7BrN2O and a molecular weight of 251.08 g/mol. Its IUPAC name is (4-bromophenyl)-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(1H-pyrazol-4-yl)methanone
PubChem CID69200129
Molecular FormulaC10H7BrN2O
Molecular Weight251.08 g/mol
Exact Mass249.97
IUPAC Name(4-bromophenyl)-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1ccc(Br)cc1)c1cn[nH]c1
InChIInChI=1S/C10H7BrN2O/c11-9-3-1-7(2-4-9)10(14)8-5-12-13-6-8/h1-6H,(H,12,13)
InChIKeyURDOVNFPVKDMNC-UHFFFAOYSA-N
XLogP2.40
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.08
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(1H-pyrazol-4-yl)methanone?
The IUPAC name of (4-bromophenyl)-(1H-pyrazol-4-yl)methanone (CID 69200129) is (4-bromophenyl)-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(1H-pyrazol-4-yl)methanone is O=C(c1ccc(Br)cc1)c1cn[nH]c1.
What is the InChIKey of (4-bromophenyl)-(1H-pyrazol-4-yl)methanone?
The InChIKey is URDOVNFPVKDMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O/c11-9-3-1-7(2-4-9)10(14)8-5-12-13-6-8/h1-6H,(H,12,13).
What are the key properties of (4-bromophenyl)-(1H-pyrazol-4-yl)methanone?
(4-bromophenyl)-(1H-pyrazol-4-yl)methanone has a molecular weight of 251.08 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 69200129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).