4-bromo-1-ethyl-N-(4-methylpyrimidin-2-yl)pyrazole-5-carboxamide

C11H12BrN5O — CID 35522845

IUPAC4-bromo-1-ethyl-N-(4-methylpyrimidin-2-yl)pyrazole-5-carboxamide
SMILESCCn1ncc(Br)c1C(=O)Nc1nccc(C)n1
InChIInChI=1S/C11H12BrN5O/c1-3-17-9(8(12)6-14-17)10(18)16-11-13-5-4-7(2)15-11/h4-6H,3H2,1-2H3,(H,13,15,16,18)
InChIKeyPOAGSSDWAKNTTH-UHFFFAOYSA-N
MW310.16 g/mol
LogP2.02
Rot. Bonds3

About 4-bromo-1-ethyl-N-(4-methylpyrimidin-2-yl)pyrazole-5-carboxamide

4-bromo-1-ethyl-N-(4-methylpyrimidin-2-yl)pyrazole-5-carboxamide (PubChem CID 35522845) has the molecular formula C11H12BrN5O and a molecular weight of 310.16 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-(4-methylpyrimidin-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-(4-methylpyrimidin-2-yl)pyrazole-5-carboxamide
PubChem CID35522845
Molecular FormulaC11H12BrN5O
Molecular Weight310.16 g/mol
Exact Mass309.02
IUPAC Name4-bromo-1-ethyl-N-(4-methylpyrimidin-2-yl)pyrazole-5-carboxamide
SMILESCCn1ncc(Br)c1C(=O)Nc1nccc(C)n1
InChIInChI=1S/C11H12BrN5O/c1-3-17-9(8(12)6-14-17)10(18)16-11-13-5-4-7(2)15-11/h4-6H,3H2,1-2H3,(H,13,15,16,18)
InChIKeyPOAGSSDWAKNTTH-UHFFFAOYSA-N
XLogP2.02
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-(4-bromophenyl)-1-ethylpyrazole-5-carboxamide
CID 35522791
4-bromo-1-ethyl-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-5-carboxamide
CID 19476744
4-bromo-N-(3,4-dimethylphenyl)-1-ethylpyrazole-5-carboxamide
CID 892389
4-bromo-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide
CID 39854861
4-bromo-5-ethyl-N-(4-methylpyrimidin-2-yl)thiophene-2-carboxamide
CID 2970304
4-bromo-1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide
CID 19476680
3-(4-bromopyrazol-1-yl)-N-(4-methylpyrimidin-2-yl)propanamide
CID 35322095
4-bromo-1-ethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-5-carboxamide
CID 35529894
(4-bromo-1-ethylpyrazol-5-yl)-isoquinolin-1-ylmethanone
CID 114640184
4-[(4-bromo-1-ethylpyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide
CID 4770344
(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-2-ylmethanone
CID 114639327
4-bromo-1-ethyl-N-(2-phenylsulfanylphenyl)pyrazole-5-carboxamide
CID 4518276

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-(4-methylpyrimidin-2-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-(4-methylpyrimidin-2-yl)pyrazole-5-carboxamide (CID 35522845) is 4-bromo-1-ethyl-N-(4-methylpyrimidin-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-(4-methylpyrimidin-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-(4-methylpyrimidin-2-yl)pyrazole-5-carboxamide is CCn1ncc(Br)c1C(=O)Nc1nccc(C)n1.
What is the InChIKey of 4-bromo-1-ethyl-N-(4-methylpyrimidin-2-yl)pyrazole-5-carboxamide?
The InChIKey is POAGSSDWAKNTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O/c1-3-17-9(8(12)6-14-17)10(18)16-11-13-5-4-7(2)15-11/h4-6H,3H2,1-2H3,(H,13,15,16,18).
What are the key properties of 4-bromo-1-ethyl-N-(4-methylpyrimidin-2-yl)pyrazole-5-carboxamide?
4-bromo-1-ethyl-N-(4-methylpyrimidin-2-yl)pyrazole-5-carboxamide has a molecular weight of 310.16 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-(4-methylpyrimidin-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 35522845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).