2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]acetic acid

C8H10ClN3O3 — CID 3777032

IUPAC2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]acetic acid
SMILESCc1nn(C)c(Cl)c1C(=O)NCC(=O)O
InChIInChI=1S/C8H10ClN3O3/c1-4-6(7(9)12(2)11-4)8(15)10-3-5(13)14/h3H2,1-2H3,(H,10,15)(H,13,14)
InChIKeyKBZVLEARDXUTTO-UHFFFAOYSA-N
MW231.64 g/mol
LogP0.20
Rot. Bonds3

About 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]acetic acid

2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]acetic acid (PubChem CID 3777032) has the molecular formula C8H10ClN3O3 and a molecular weight of 231.64 g/mol. Its IUPAC name is 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]acetic acid
PubChem CID3777032
Molecular FormulaC8H10ClN3O3
Molecular Weight231.64 g/mol
Exact Mass231.04
IUPAC Name2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]acetic acid
SMILESCc1nn(C)c(Cl)c1C(=O)NCC(=O)O
InChIInChI=1S/C8H10ClN3O3/c1-4-6(7(9)12(2)11-4)8(15)10-3-5(13)14/h3H2,1-2H3,(H,10,15)(H,13,14)
InChIKeyKBZVLEARDXUTTO-UHFFFAOYSA-N
XLogP0.20
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 1474979
ethyl 2-{[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}acetate
CID 3716979
5-chloro-N-cyclohexyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 17559327
5-chloro-N-cyclopentyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 24687575
5-chloro-N-cyclopropyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 9115827
N-butan-2-yl-5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 16265645
5-chloro-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 47137888
(2R)-2-[(5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 91659593
(2S)-3-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid
CID 97796366
3-[[5-Chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-4,4,4-trifluorobutanoic acid
CID 166254825
5-chloro-3-(difluoromethyl)-N-isobutyl-1-methyl-1H-pyrazole-4-carboxamide
CID 178361091
5-chloro-3-(difluoromethyl)-1-methyl-N-neopentyl-1H-pyrazole-4-carboxamide
CID 178362044

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]acetic acid (CID 3777032) is 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]acetic acid is Cc1nn(C)c(Cl)c1C(=O)NCC(=O)O.
What is the InChIKey of 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]acetic acid?
The InChIKey is KBZVLEARDXUTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O3/c1-4-6(7(9)12(2)11-4)8(15)10-3-5(13)14/h3H2,1-2H3,(H,10,15)(H,13,14).
What are the key properties of 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]acetic acid?
2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]acetic acid has a molecular weight of 231.64 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 3777032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).