4-bromo-1-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyrazole-3-carboxamide

C14H13BrN6O — CID 165415292

IUPAC4-bromo-1-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyrazole-3-carboxamide
SMILESCn1cc(Br)c(C(=O)Nc2cc(-c3ccccn3)nn2C)n1
InChIInChI=1S/C14H13BrN6O/c1-20-8-9(15)13(19-20)14(22)17-12-7-11(18-21(12)2)10-5-3-4-6-16-10/h3-8H,1-2H3,(H,17,22)
InChIKeyPFUWELFRYSOTFV-UHFFFAOYSA-N
MW361.20 g/mol
LogP2.23
Rot. Bonds3

About 4-bromo-1-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyrazole-3-carboxamide

4-bromo-1-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyrazole-3-carboxamide (PubChem CID 165415292) has the molecular formula C14H13BrN6O and a molecular weight of 361.20 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyrazole-3-carboxamide
PubChem CID165415292
Molecular FormulaC14H13BrN6O
Molecular Weight361.20 g/mol
Exact Mass360.03
IUPAC Name4-bromo-1-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyrazole-3-carboxamide
SMILESCn1cc(Br)c(C(=O)Nc2cc(-c3ccccn3)nn2C)n1
InChIInChI=1S/C14H13BrN6O/c1-20-8-9(15)13(19-20)14(22)17-12-7-11(18-21(12)2)10-5-3-4-6-16-10/h3-8H,1-2H3,(H,17,22)
InChIKeyPFUWELFRYSOTFV-UHFFFAOYSA-N
XLogP2.23
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-2-methyl-N-(4-pyridin-2-ylpiperazine-1-carbothioyl)pyrazole-3-carboxamide
CID 1028192
US9586948, Example 2
CID 117872321
4-bromo-N-(5-chloropyridin-2-yl)-2-ethylpyrazole-3-carboxamide
CID 892191
4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-3-(pyridin-2-yl)-1H-pyrazol-5-yl]-1H-pyrazole-5-carboxamide
CID 165368460
1-methyl-N-[1-methyl-3-(pyridin-2-yl)-1H-pyrazol-5-yl]-4-(pyridin-4-yl)-1H-pyrazole-3-carboxamide
CID 165368565
4-bromo-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 165415000
5-bromo-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-oxo-3H-pyridine-3-carboxamide
CID 165415138
4-bromo-1-methyl-N-(4-pyridin-2-ylpiperazine-1-carbothioyl)pyrazole-3-carboxamide
CID 1224932
6-bromo-N-[1-(2-methylbenzyl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1259129
N-(2-methylpyrazol-3-yl)-2-(3-pyridin-4-ylpyrazol-1-yl)acetamide
CID 46985016
4-bromo-N-(4-methyl-2-pyridinyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 53601325
4-bromo-5-propan-2-yl-N-pyridin-2-yl-1H-pyrazole-3-carboxamide
CID 53614850

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyrazole-3-carboxamide (CID 165415292) is 4-bromo-1-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyrazole-3-carboxamide is Cn1cc(Br)c(C(=O)Nc2cc(-c3ccccn3)nn2C)n1.
What is the InChIKey of 4-bromo-1-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyrazole-3-carboxamide?
The InChIKey is PFUWELFRYSOTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN6O/c1-20-8-9(15)13(19-20)14(22)17-12-7-11(18-21(12)2)10-5-3-4-6-16-10/h3-8H,1-2H3,(H,17,22).
What are the key properties of 4-bromo-1-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyrazole-3-carboxamide?
4-bromo-1-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyrazole-3-carboxamide has a molecular weight of 361.20 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 165415292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).