[2-(5-bromo-2-pyridinyl)pyrazol-3-yl] carbamate

C9H7BrN4O2 — CID 175326367

IUPAC[2-(5-bromo-2-pyridinyl)pyrazol-3-yl] carbamate
SMILESNC(=O)Oc1ccnn1-c1ccc(Br)cn1
InChIInChI=1S/C9H7BrN4O2/c10-6-1-2-7(12-5-6)14-8(3-4-13-14)16-9(11)15/h1-5H,(H2,11,15)
InChIKeyKRYONXZAZRWZJS-UHFFFAOYSA-N
MW283.09 g/mol
LogP1.49
Rot. Bonds2

About [2-(5-bromo-2-pyridinyl)pyrazol-3-yl] carbamate

[2-(5-bromo-2-pyridinyl)pyrazol-3-yl] carbamate (PubChem CID 175326367) has the molecular formula C9H7BrN4O2 and a molecular weight of 283.09 g/mol. Its IUPAC name is [2-(5-bromo-2-pyridinyl)pyrazol-3-yl] carbamate.

Molecular Properties

Compound Name[2-(5-bromo-2-pyridinyl)pyrazol-3-yl] carbamate
PubChem CID175326367
Molecular FormulaC9H7BrN4O2
Molecular Weight283.09 g/mol
Exact Mass281.98
IUPAC Name[2-(5-bromo-2-pyridinyl)pyrazol-3-yl] carbamate
SMILESNC(=O)Oc1ccnn1-c1ccc(Br)cn1
InChIInChI=1S/C9H7BrN4O2/c10-6-1-2-7(12-5-6)14-8(3-4-13-14)16-9(11)15/h1-5H,(H2,11,15)
InChIKeyKRYONXZAZRWZJS-UHFFFAOYSA-N
XLogP1.49
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.09
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromo-2-pyridinyl)pyrazol-3-amine
CID 65347835
5-bromo-2-[5-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 84814969
4,5-dibromo-2-(5-bromo-2-pyridinyl)pyridazin-3-one
CID 65347944
2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine
CID 118126969
methyl 3-[1-(5-bromo-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropanoate
CID 65347882
5-bromo-2-(4-methoxypyrazol-1-yl)pyridine
CID 130511258
[4-(4-bromopyrazol-1-yl)-2-pyridinyl] carbamate
CID 172801796
6-(5-bromo-2-pyridinyl)pyrrolo[3,4-b]pyrazine-5,7-diol
CID 137251571
methyl 2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate
CID 86725564
[1-(5-bromo-2-pyridinyl)-5-ethylpyrazol-4-yl]methanol
CID 66437696
[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methanol
CID 66437474
1-(5-bromo-2-pyridinyl)-6,7-dihydro-5H-indazol-4-one
CID 65356618

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-2-pyridinyl)pyrazol-3-yl] carbamate?
The IUPAC name of [2-(5-bromo-2-pyridinyl)pyrazol-3-yl] carbamate (CID 175326367) is [2-(5-bromo-2-pyridinyl)pyrazol-3-yl] carbamate.
What is the SMILES notation for [2-(5-bromo-2-pyridinyl)pyrazol-3-yl] carbamate?
The canonical SMILES for [2-(5-bromo-2-pyridinyl)pyrazol-3-yl] carbamate is NC(=O)Oc1ccnn1-c1ccc(Br)cn1.
What is the InChIKey of [2-(5-bromo-2-pyridinyl)pyrazol-3-yl] carbamate?
The InChIKey is KRYONXZAZRWZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4O2/c10-6-1-2-7(12-5-6)14-8(3-4-13-14)16-9(11)15/h1-5H,(H2,11,15).
What are the key properties of [2-(5-bromo-2-pyridinyl)pyrazol-3-yl] carbamate?
[2-(5-bromo-2-pyridinyl)pyrazol-3-yl] carbamate has a molecular weight of 283.09 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-2-pyridinyl)pyrazol-3-yl] carbamate is sourced from PubChem (CID 175326367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).