4-bromo-5-methyl-3-naphthalen-2-yl-1H-pyrazole

C14H11BrN2 — CID 116856703

IUPAC4-bromo-5-methyl-3-naphthalen-2-yl-1H-pyrazole
SMILESCc1[nH]nc(-c2ccc3ccccc3c2)c1Br
InChIInChI=1S/C14H11BrN2/c1-9-13(15)14(17-16-9)12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H,16,17)
InChIKeyZSBPKUOQMIUZHM-UHFFFAOYSA-N
MW287.16 g/mol
LogP4.30
Rot. Bonds1

About 4-bromo-5-methyl-3-naphthalen-2-yl-1H-pyrazole

4-bromo-5-methyl-3-naphthalen-2-yl-1H-pyrazole (PubChem CID 116856703) has the molecular formula C14H11BrN2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 4-bromo-5-methyl-3-naphthalen-2-yl-1H-pyrazole.

Molecular Properties

Compound Name4-bromo-5-methyl-3-naphthalen-2-yl-1H-pyrazole
PubChem CID116856703
Molecular FormulaC14H11BrN2
Molecular Weight287.16 g/mol
Exact Mass286.01
IUPAC Name4-bromo-5-methyl-3-naphthalen-2-yl-1H-pyrazole
SMILESCc1[nH]nc(-c2ccc3ccccc3c2)c1Br
InChIInChI=1S/C14H11BrN2/c1-9-13(15)14(17-16-9)12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H,16,17)
InChIKeyZSBPKUOQMIUZHM-UHFFFAOYSA-N
XLogP4.30
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,5-dimethyl-3-(6-methylnaphthalen-2-yl)-1H-pyrazol-4-amine
CID 116827019
2,5-dimethyl-4-naphthalen-2-yl-1,3-thiazole
CID 21058775
2-[2-(4-bromophenyl)phenyl]naphthalene
CID 134433047
4,6-dibromo-2-naphthalen-2-ylpyrimidine
CID 71324653
5-bromo-3-(4-fluorophenyl)-6-methyl-1H-pyridazin-4-one
CID 165373244
4-(4-methylphenyl)-2,6-dinaphthalen-2-ylpyrimidine
CID 118490750
3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine-5-carbonitrile
CID 23070124
4-tert-butyl-3-naphthalen-2-yl-1H-1,2,4-triazole-5-thione
CID 115390750
4-ethyl-3-naphthalen-2-yl-1H-1,2,4-triazole-5-thione
CID 115389682
2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4,6-dinaphthalen-2-ylpyrimidine
CID 137433549
4-(4-bromophenyl)-2,6-dinaphthalen-2-ylpyrimidine
CID 130452830
2-methyl-4-naphthalen-2-ylaniline
CID 54912511

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methyl-3-naphthalen-2-yl-1H-pyrazole?
The IUPAC name of 4-bromo-5-methyl-3-naphthalen-2-yl-1H-pyrazole (CID 116856703) is 4-bromo-5-methyl-3-naphthalen-2-yl-1H-pyrazole.
What is the SMILES notation for 4-bromo-5-methyl-3-naphthalen-2-yl-1H-pyrazole?
The canonical SMILES for 4-bromo-5-methyl-3-naphthalen-2-yl-1H-pyrazole is Cc1[nH]nc(-c2ccc3ccccc3c2)c1Br.
What is the InChIKey of 4-bromo-5-methyl-3-naphthalen-2-yl-1H-pyrazole?
The InChIKey is ZSBPKUOQMIUZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2/c1-9-13(15)14(17-16-9)12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H,16,17).
What are the key properties of 4-bromo-5-methyl-3-naphthalen-2-yl-1H-pyrazole?
4-bromo-5-methyl-3-naphthalen-2-yl-1H-pyrazole has a molecular weight of 287.16 g/mol, XLogP of 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methyl-3-naphthalen-2-yl-1H-pyrazole is sourced from PubChem (CID 116856703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).