2-[(5-bromo-1-methylpyrazole-4-carbonyl)amino]acetic acid

C7H8BrN3O3 — CID 115048925

IUPAC2-[(5-bromo-1-methylpyrazole-4-carbonyl)amino]acetic acid
SMILESCn1ncc(C(=O)NCC(=O)O)c1Br
InChIInChI=1S/C7H8BrN3O3/c1-11-6(8)4(2-10-11)7(14)9-3-5(12)13/h2H,3H2,1H3,(H,9,14)(H,12,13)
InChIKeyNIMYGFDBPGDCOY-UHFFFAOYSA-N
MW262.06 g/mol
LogP-0.00
Rot. Bonds3

About 2-[(5-bromo-1-methylpyrazole-4-carbonyl)amino]acetic acid

2-[(5-bromo-1-methylpyrazole-4-carbonyl)amino]acetic acid (PubChem CID 115048925) has the molecular formula C7H8BrN3O3 and a molecular weight of 262.06 g/mol. Its IUPAC name is 2-[(5-bromo-1-methylpyrazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-bromo-1-methylpyrazole-4-carbonyl)amino]acetic acid
PubChem CID115048925
Molecular FormulaC7H8BrN3O3
Molecular Weight262.06 g/mol
Exact Mass260.97
IUPAC Name2-[(5-bromo-1-methylpyrazole-4-carbonyl)amino]acetic acid
SMILESCn1ncc(C(=O)NCC(=O)O)c1Br
InChIInChI=1S/C7H8BrN3O3/c1-11-6(8)4(2-10-11)7(14)9-3-5(12)13/h2H,3H2,1H3,(H,9,14)(H,12,13)
InChIKeyNIMYGFDBPGDCOY-UHFFFAOYSA-N
XLogP-0.00
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.06
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2,2-difluoroethyl)-1-methylpyrazole-4-carboxamide
CID 126997629
5-bromo-N-(2-bromo-2,2-difluoroethyl)-1-methylpyrazole-4-carboxamide
CID 130665485
5-bromo-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 130710917
5-bromo-N-(2-fluoroethyl)-1-methylpyrazole-4-carboxamide
CID 131223958
5-bromo-1-tert-butyl-N-methylpyrazole-4-carboxamide
CID 13821990
5-bromo-1-tert-butyl-N-ethylpyrazole-4-carboxamide
CID 13821993
5-bromo-N-(2-hydroxyethyl)-1-methylpyrazole-4-carboxamide
CID 130693937
5-bromo-1-isopropyl-1H-pyrazole-4-carboxamide
CID 162378241
Methyl 2-[(1-ethylpyrazole-4-carbonyl)amino]acetate
CID 19281100
Methyl 2-[(1-methylpyrazole-4-carbonyl)amino]acetate
CID 19474629
2-[4-(Hexylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19500495
2-[4-[3-(Dimethylamino)propylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500595

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-1-methylpyrazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(5-bromo-1-methylpyrazole-4-carbonyl)amino]acetic acid (CID 115048925) is 2-[(5-bromo-1-methylpyrazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-bromo-1-methylpyrazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(5-bromo-1-methylpyrazole-4-carbonyl)amino]acetic acid is Cn1ncc(C(=O)NCC(=O)O)c1Br.
What is the InChIKey of 2-[(5-bromo-1-methylpyrazole-4-carbonyl)amino]acetic acid?
The InChIKey is NIMYGFDBPGDCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3O3/c1-11-6(8)4(2-10-11)7(14)9-3-5(12)13/h2H,3H2,1H3,(H,9,14)(H,12,13).
What are the key properties of 2-[(5-bromo-1-methylpyrazole-4-carbonyl)amino]acetic acid?
2-[(5-bromo-1-methylpyrazole-4-carbonyl)amino]acetic acid has a molecular weight of 262.06 g/mol, XLogP of -0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-1-methylpyrazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 115048925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).