4-bromo-1,5-dimethyl-N-morpholin-4-ylpyrazole-3-carboxamide

C10H15BrN4O2 — CID 4768617

IUPAC4-bromo-1,5-dimethyl-N-morpholin-4-ylpyrazole-3-carboxamide
SMILESCc1c(Br)c(C(=O)NN2CCOCC2)nn1C
InChIInChI=1S/C10H15BrN4O2/c1-7-8(11)9(12-14(7)2)10(16)13-15-3-5-17-6-4-15/h3-6H2,1-2H3,(H,13,16)
InChIKeyOYZWDZJBZGFWOW-UHFFFAOYSA-N
MW303.16 g/mol
LogP0.47
Rot. Bonds2

About 4-bromo-1,5-dimethyl-N-morpholin-4-ylpyrazole-3-carboxamide

4-bromo-1,5-dimethyl-N-morpholin-4-ylpyrazole-3-carboxamide (PubChem CID 4768617) has the molecular formula C10H15BrN4O2 and a molecular weight of 303.16 g/mol. Its IUPAC name is 4-bromo-1,5-dimethyl-N-morpholin-4-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-1,5-dimethyl-N-morpholin-4-ylpyrazole-3-carboxamide
PubChem CID4768617
Molecular FormulaC10H15BrN4O2
Molecular Weight303.16 g/mol
Exact Mass302.04
IUPAC Name4-bromo-1,5-dimethyl-N-morpholin-4-ylpyrazole-3-carboxamide
SMILESCc1c(Br)c(C(=O)NN2CCOCC2)nn1C
InChIInChI=1S/C10H15BrN4O2/c1-7-8(11)9(12-14(7)2)10(16)13-15-3-5-17-6-4-15/h3-6H2,1-2H3,(H,13,16)
InChIKeyOYZWDZJBZGFWOW-UHFFFAOYSA-N
XLogP0.47
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-1,5-dimethyl-N-morpholin-4-ylpyrazole-3-carboxamide
CID 4768702
4-chloro-1-methyl-N-(morpholin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4767774
(4-bromo-5-methyl-1H-pyrazol-3-yl)-(2-ethylmorpholin-4-yl)methanone
CID 47374278
[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl](morpholin-4-yl)methanone
CID 4767766
4-Bromo-1,3-dimethyl-N~5~-(1-methyl-2-morpholinoethyl)-1H-pyrazole-5-carboxamide
CID 4770997
4-bromo-1,3-dimethyl-N-[3-(morpholin-4-yl)propyl]-1H-pyrazole-5-carboxamide
CID 19575485
4-bromo-1,5-dimethyl-N-[(3R)-oxan-3-yl]pyrazole-3-carboxamide
CID 136589319
1-methyl-N-morpholin-4-yl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19575258
4-Bromo-1,5-dimethylpyrazol-3-yl morpholin-4-yl ketone
CID 19579891
4-bromo-1-methyl-N-(morpholin-4-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 4767817
4-bromo-1-methyl-N-(morpholin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4767820
1-methyl-N-(morpholin-4-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 4768054

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,5-dimethyl-N-morpholin-4-ylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-1,5-dimethyl-N-morpholin-4-ylpyrazole-3-carboxamide (CID 4768617) is 4-bromo-1,5-dimethyl-N-morpholin-4-ylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-1,5-dimethyl-N-morpholin-4-ylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-1,5-dimethyl-N-morpholin-4-ylpyrazole-3-carboxamide is Cc1c(Br)c(C(=O)NN2CCOCC2)nn1C.
What is the InChIKey of 4-bromo-1,5-dimethyl-N-morpholin-4-ylpyrazole-3-carboxamide?
The InChIKey is OYZWDZJBZGFWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O2/c1-7-8(11)9(12-14(7)2)10(16)13-15-3-5-17-6-4-15/h3-6H2,1-2H3,(H,13,16).
What are the key properties of 4-bromo-1,5-dimethyl-N-morpholin-4-ylpyrazole-3-carboxamide?
4-bromo-1,5-dimethyl-N-morpholin-4-ylpyrazole-3-carboxamide has a molecular weight of 303.16 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,5-dimethyl-N-morpholin-4-ylpyrazole-3-carboxamide is sourced from PubChem (CID 4768617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).