(4-bromo-2-pyridinyl) N-(2-methylpyrazol-3-yl)carbamate

C10H9BrN4O2 — CID 155024220

IUPAC(4-bromo-2-pyridinyl) N-(2-methylpyrazol-3-yl)carbamate
SMILESCn1nccc1NC(=O)Oc1cc(Br)ccn1
InChIInChI=1S/C10H9BrN4O2/c1-15-8(3-5-13-15)14-10(16)17-9-6-7(11)2-4-12-9/h2-6H,1H3,(H,14,16)
InChIKeyWQZPZQJRDVUZMA-UHFFFAOYSA-N
MW297.11 g/mol
LogP2.19
Rot. Bonds2

About (4-bromo-2-pyridinyl) N-(2-methylpyrazol-3-yl)carbamate

(4-bromo-2-pyridinyl) N-(2-methylpyrazol-3-yl)carbamate (PubChem CID 155024220) has the molecular formula C10H9BrN4O2 and a molecular weight of 297.11 g/mol. Its IUPAC name is (4-bromo-2-pyridinyl) N-(2-methylpyrazol-3-yl)carbamate.

Molecular Properties

Compound Name(4-bromo-2-pyridinyl) N-(2-methylpyrazol-3-yl)carbamate
PubChem CID155024220
Molecular FormulaC10H9BrN4O2
Molecular Weight297.11 g/mol
Exact Mass295.99
IUPAC Name(4-bromo-2-pyridinyl) N-(2-methylpyrazol-3-yl)carbamate
SMILESCn1nccc1NC(=O)Oc1cc(Br)ccn1
InChIInChI=1S/C10H9BrN4O2/c1-15-8(3-5-13-15)14-10(16)17-9-6-7(11)2-4-12-9/h2-6H,1H3,(H,14,16)
InChIKeyWQZPZQJRDVUZMA-UHFFFAOYSA-N
XLogP2.19
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.11
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(2-methylpyrazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112524848
methyl 2-[(2-methylpyrazol-3-yl)amino]-2-oxoacetate
CID 112617047
2-methoxy-N-(2-methylpyrazol-3-yl)acetamide
CID 110470519
(2-methylpyrazol-3-yl)carbamodithioic acid
CID 14516770
5-bromo-2-(ethylamino)-N-(2-methylpyrazol-3-yl)pyridine-3-carboxamide
CID 62174779
2-hydroxy-2-methyl-N-(2-methylpyrazol-3-yl)propanamide
CID 103429823
4-bromo-3-chloro-N-(2-methylpyrazol-3-yl)benzamide
CID 81005079
5-chloro-N-(2-methylpyrazol-3-yl)pyrazine-2-carboxamide
CID 107257615
4-bromo-2-ethoxypyridine
CID 2762557
N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
CID 110471287
ethyl N-(4-bromo-2-pyridinyl)carbamate
CID 102820649
(4-bromo-2-pyridinyl) cyclobutanecarboxylate
CID 175605072

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-pyridinyl) N-(2-methylpyrazol-3-yl)carbamate?
The IUPAC name of (4-bromo-2-pyridinyl) N-(2-methylpyrazol-3-yl)carbamate (CID 155024220) is (4-bromo-2-pyridinyl) N-(2-methylpyrazol-3-yl)carbamate.
What is the SMILES notation for (4-bromo-2-pyridinyl) N-(2-methylpyrazol-3-yl)carbamate?
The canonical SMILES for (4-bromo-2-pyridinyl) N-(2-methylpyrazol-3-yl)carbamate is Cn1nccc1NC(=O)Oc1cc(Br)ccn1.
What is the InChIKey of (4-bromo-2-pyridinyl) N-(2-methylpyrazol-3-yl)carbamate?
The InChIKey is WQZPZQJRDVUZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O2/c1-15-8(3-5-13-15)14-10(16)17-9-6-7(11)2-4-12-9/h2-6H,1H3,(H,14,16).
What are the key properties of (4-bromo-2-pyridinyl) N-(2-methylpyrazol-3-yl)carbamate?
(4-bromo-2-pyridinyl) N-(2-methylpyrazol-3-yl)carbamate has a molecular weight of 297.11 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-pyridinyl) N-(2-methylpyrazol-3-yl)carbamate is sourced from PubChem (CID 155024220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).