(4-bromophenyl) pyrazole-1-carboxylate

C10H7BrN2O2 — CID 146272533

IUPAC(4-bromophenyl) pyrazole-1-carboxylate
SMILESO=C(Oc1ccc(Br)cc1)n1cccn1
InChIInChI=1S/C10H7BrN2O2/c11-8-2-4-9(5-3-8)15-10(14)13-7-1-6-12-13/h1-7H
InChIKeyCKGNLCCWNYYGPG-UHFFFAOYSA-N
MW267.08 g/mol
LogP2.69
Rot. Bonds1

About (4-bromophenyl) pyrazole-1-carboxylate

(4-bromophenyl) pyrazole-1-carboxylate (PubChem CID 146272533) has the molecular formula C10H7BrN2O2 and a molecular weight of 267.08 g/mol. Its IUPAC name is (4-bromophenyl) pyrazole-1-carboxylate.

Molecular Properties

Compound Name(4-bromophenyl) pyrazole-1-carboxylate
PubChem CID146272533
Molecular FormulaC10H7BrN2O2
Molecular Weight267.08 g/mol
Exact Mass265.97
IUPAC Name(4-bromophenyl) pyrazole-1-carboxylate
SMILESO=C(Oc1ccc(Br)cc1)n1cccn1
InChIInChI=1S/C10H7BrN2O2/c11-8-2-4-9(5-3-8)15-10(14)13-7-1-6-12-13/h1-7H
InChIKeyCKGNLCCWNYYGPG-UHFFFAOYSA-N
XLogP2.69
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.08
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2-phenoxy-1-pyrazol-1-ylethanone
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(4-bromothiophen-2-yl)-pyrazol-1-ylmethanone
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(4-bromophenyl) cycloprop-2-ene-1-carboxylate
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[4-(4-bromophenyl)phenyl] carbamate
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1-(4-bromophenyl)pyrazole
CID 10443564
(E)-4-(4-bromophenoxy)-4-phenylbut-3-en-2-one
CID 122401366
(4-bromophenyl) 5-fluoro-1,3-dihydroisoindole-2-carboxylate
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(4-bromophenyl) 3-phenylprop-2-enoate
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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl) pyrazole-1-carboxylate?
The IUPAC name of (4-bromophenyl) pyrazole-1-carboxylate (CID 146272533) is (4-bromophenyl) pyrazole-1-carboxylate.
What is the SMILES notation for (4-bromophenyl) pyrazole-1-carboxylate?
The canonical SMILES for (4-bromophenyl) pyrazole-1-carboxylate is O=C(Oc1ccc(Br)cc1)n1cccn1.
What is the InChIKey of (4-bromophenyl) pyrazole-1-carboxylate?
The InChIKey is CKGNLCCWNYYGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O2/c11-8-2-4-9(5-3-8)15-10(14)13-7-1-6-12-13/h1-7H.
What are the key properties of (4-bromophenyl) pyrazole-1-carboxylate?
(4-bromophenyl) pyrazole-1-carboxylate has a molecular weight of 267.08 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl) pyrazole-1-carboxylate is sourced from PubChem (CID 146272533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).