3-bromo-1-[(2-chlorophenyl)methyl]pyrazole

C10H8BrClN2 — CID 130763299

IUPAC3-bromo-1-[(2-chlorophenyl)methyl]pyrazole
SMILESClc1ccccc1Cn1ccc(Br)n1
InChIInChI=1S/C10H8BrClN2/c11-10-5-6-14(13-10)7-8-3-1-2-4-9(8)12/h1-6H,7H2
InChIKeyURSWPHHLALFGMD-UHFFFAOYSA-N
MW271.55 g/mol
LogP3.35
Rot. Bonds2

About 3-bromo-1-[(2-chlorophenyl)methyl]pyrazole

3-bromo-1-[(2-chlorophenyl)methyl]pyrazole (PubChem CID 130763299) has the molecular formula C10H8BrClN2 and a molecular weight of 271.55 g/mol. Its IUPAC name is 3-bromo-1-[(2-chlorophenyl)methyl]pyrazole.

Molecular Properties

Compound Name3-bromo-1-[(2-chlorophenyl)methyl]pyrazole
PubChem CID130763299
Molecular FormulaC10H8BrClN2
Molecular Weight271.55 g/mol
Exact Mass269.96
IUPAC Name3-bromo-1-[(2-chlorophenyl)methyl]pyrazole
SMILESClc1ccccc1Cn1ccc(Br)n1
InChIInChI=1S/C10H8BrClN2/c11-10-5-6-14(13-10)7-8-3-1-2-4-9(8)12/h1-6H,7H2
InChIKeyURSWPHHLALFGMD-UHFFFAOYSA-N
XLogP3.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.55
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285329
1-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methylthiourea
CID 19395134
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22203582
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19287198
1-[(2-bromophenyl)methyl]pyrazol-3-amine
CID 60783201
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19285284
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-phenylbenzamide
CID 19285520
1-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(3-methylphenyl)thiourea
CID 19395113
(3aR,4S,7S,7aS)-2-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 98273731
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4,6-trimethylbenzenesulfonamide
CID 22203620
(3aR,4R,7R,7aS)-2-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 100810475
1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19327034

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[(2-chlorophenyl)methyl]pyrazole?
The IUPAC name of 3-bromo-1-[(2-chlorophenyl)methyl]pyrazole (CID 130763299) is 3-bromo-1-[(2-chlorophenyl)methyl]pyrazole.
What is the SMILES notation for 3-bromo-1-[(2-chlorophenyl)methyl]pyrazole?
The canonical SMILES for 3-bromo-1-[(2-chlorophenyl)methyl]pyrazole is Clc1ccccc1Cn1ccc(Br)n1.
What is the InChIKey of 3-bromo-1-[(2-chlorophenyl)methyl]pyrazole?
The InChIKey is URSWPHHLALFGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2/c11-10-5-6-14(13-10)7-8-3-1-2-4-9(8)12/h1-6H,7H2.
What are the key properties of 3-bromo-1-[(2-chlorophenyl)methyl]pyrazole?
3-bromo-1-[(2-chlorophenyl)methyl]pyrazole has a molecular weight of 271.55 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[(2-chlorophenyl)methyl]pyrazole is sourced from PubChem (CID 130763299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).