(5-bromo-1H-indazol-3-yl)-[4-(1-methylpyrazol-4-yl)phenyl]methanone

C18H13BrN4O — CID 118974232

IUPAC(5-bromo-1H-indazol-3-yl)-[4-(1-methylpyrazol-4-yl)phenyl]methanone
SMILESCn1cc(-c2ccc(C(=O)c3n[nH]c4ccc(Br)cc34)cc2)cn1
InChIInChI=1S/C18H13BrN4O/c1-23-10-13(9-20-23)11-2-4-12(5-3-11)18(24)17-15-8-14(19)6-7-16(15)21-22-17/h2-10H,1H3,(H,21,22)
InChIKeyCPJNGBJNPHKBOO-UHFFFAOYSA-N
MW381.23 g/mol
LogP3.96
Rot. Bonds3

About (5-bromo-1H-indazol-3-yl)-[4-(1-methylpyrazol-4-yl)phenyl]methanone

(5-bromo-1H-indazol-3-yl)-[4-(1-methylpyrazol-4-yl)phenyl]methanone (PubChem CID 118974232) has the molecular formula C18H13BrN4O and a molecular weight of 381.23 g/mol. Its IUPAC name is (5-bromo-1H-indazol-3-yl)-[4-(1-methylpyrazol-4-yl)phenyl]methanone.

Molecular Properties

Compound Name(5-bromo-1H-indazol-3-yl)-[4-(1-methylpyrazol-4-yl)phenyl]methanone
PubChem CID118974232
Molecular FormulaC18H13BrN4O
Molecular Weight381.23 g/mol
Exact Mass380.03
IUPAC Name(5-bromo-1H-indazol-3-yl)-[4-(1-methylpyrazol-4-yl)phenyl]methanone
SMILESCn1cc(-c2ccc(C(=O)c3n[nH]c4ccc(Br)cc34)cc2)cn1
InChIInChI=1S/C18H13BrN4O/c1-23-10-13(9-20-23)11-2-4-12(5-3-11)18(24)17-15-8-14(19)6-7-16(15)21-22-17/h2-10H,1H3,(H,21,22)
InChIKeyCPJNGBJNPHKBOO-UHFFFAOYSA-N
XLogP3.96
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-indazol-3-yl)-[4-(1-methylpyrazol-4-yl)phenyl]methanone?
The IUPAC name of (5-bromo-1H-indazol-3-yl)-[4-(1-methylpyrazol-4-yl)phenyl]methanone (CID 118974232) is (5-bromo-1H-indazol-3-yl)-[4-(1-methylpyrazol-4-yl)phenyl]methanone.
What is the SMILES notation for (5-bromo-1H-indazol-3-yl)-[4-(1-methylpyrazol-4-yl)phenyl]methanone?
The canonical SMILES for (5-bromo-1H-indazol-3-yl)-[4-(1-methylpyrazol-4-yl)phenyl]methanone is Cn1cc(-c2ccc(C(=O)c3n[nH]c4ccc(Br)cc34)cc2)cn1.
What is the InChIKey of (5-bromo-1H-indazol-3-yl)-[4-(1-methylpyrazol-4-yl)phenyl]methanone?
The InChIKey is CPJNGBJNPHKBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN4O/c1-23-10-13(9-20-23)11-2-4-12(5-3-11)18(24)17-15-8-14(19)6-7-16(15)21-22-17/h2-10H,1H3,(H,21,22).
What are the key properties of (5-bromo-1H-indazol-3-yl)-[4-(1-methylpyrazol-4-yl)phenyl]methanone?
(5-bromo-1H-indazol-3-yl)-[4-(1-methylpyrazol-4-yl)phenyl]methanone has a molecular weight of 381.23 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1H-indazol-3-yl)-[4-(1-methylpyrazol-4-yl)phenyl]methanone is sourced from PubChem (CID 118974232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).