4-bromo-1-methyl-N-morpholin-4-ylpyrazole-3-carboxamide

C9H13BrN4O2 — CID 4767850

IUPAC4-bromo-1-methyl-N-morpholin-4-ylpyrazole-3-carboxamide
SMILESCn1cc(Br)c(C(=O)NN2CCOCC2)n1
InChIInChI=1S/C9H13BrN4O2/c1-13-6-7(10)8(11-13)9(15)12-14-2-4-16-5-3-14/h6H,2-5H2,1H3,(H,12,15)
InChIKeyYEYLJPDDRJLGQE-UHFFFAOYSA-N
MW289.13 g/mol
LogP0.16
Rot. Bonds2

About 4-bromo-1-methyl-N-morpholin-4-ylpyrazole-3-carboxamide

4-bromo-1-methyl-N-morpholin-4-ylpyrazole-3-carboxamide (PubChem CID 4767850) has the molecular formula C9H13BrN4O2 and a molecular weight of 289.13 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-morpholin-4-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-morpholin-4-ylpyrazole-3-carboxamide
PubChem CID4767850
Molecular FormulaC9H13BrN4O2
Molecular Weight289.13 g/mol
Exact Mass288.02
IUPAC Name4-bromo-1-methyl-N-morpholin-4-ylpyrazole-3-carboxamide
SMILESCn1cc(Br)c(C(=O)NN2CCOCC2)n1
InChIInChI=1S/C9H13BrN4O2/c1-13-6-7(10)8(11-13)9(15)12-14-2-4-16-5-3-14/h6H,2-5H2,1H3,(H,12,15)
InChIKeyYEYLJPDDRJLGQE-UHFFFAOYSA-N
XLogP0.16
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-1-ethyl-1H-pyrazole-3-carbohydrazide
CID 840889
4-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]morpholine
CID 1219641
(4-Bromo-2-methylpyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 4391269
4-bromo-N-(3-ethoxypropyl)-1-ethylpyrazole-3-carboxamide
CID 19267516
(4-bromo-1H-pyrazol-5-yl)-morpholin-4-ylmethanone
CID 35527352
4-bromo-1-(oxan-2-yl)-1H-pyrazole-3-carboxamide
CID 165765537
4-bromo-1-methyl-1H-pyrazole-5-carbohydrazide
CID 1273244
4-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-1H-pyrazole-5-carboxamide
CID 72003788
(4-Bromo-1-methylpyrazol-3-yl)-(4-ethylpiperazin-1-yl)methanone
CID 841650
Morpholine, 4-(4-bromo-1-methylpyrazol-3-ylcarbonyl)-
CID 559877
4-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid hydrazide
CID 605116
4-iodo-1-methyl-N-(morpholin-4-yl)-1H-pyrazole-3-carboxamide
CID 4767531

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-morpholin-4-ylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-morpholin-4-ylpyrazole-3-carboxamide (CID 4767850) is 4-bromo-1-methyl-N-morpholin-4-ylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-morpholin-4-ylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-morpholin-4-ylpyrazole-3-carboxamide is Cn1cc(Br)c(C(=O)NN2CCOCC2)n1.
What is the InChIKey of 4-bromo-1-methyl-N-morpholin-4-ylpyrazole-3-carboxamide?
The InChIKey is YEYLJPDDRJLGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4O2/c1-13-6-7(10)8(11-13)9(15)12-14-2-4-16-5-3-14/h6H,2-5H2,1H3,(H,12,15).
What are the key properties of 4-bromo-1-methyl-N-morpholin-4-ylpyrazole-3-carboxamide?
4-bromo-1-methyl-N-morpholin-4-ylpyrazole-3-carboxamide has a molecular weight of 289.13 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-morpholin-4-ylpyrazole-3-carboxamide is sourced from PubChem (CID 4767850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).