2-(4-chloro-N-(2-methylpyrazole-3-carbonyl)anilino)acetic acid

C13H12ClN3O3 — CID 60826661

IUPAC2-(4-chloro-N-(2-methylpyrazole-3-carbonyl)anilino)acetic acid
SMILESCn1nccc1C(=O)N(CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClN3O3/c1-16-11(6-7-15-16)13(20)17(8-12(18)19)10-4-2-9(14)3-5-10/h2-7H,8H2,1H3,(H,18,19)
InChIKeyBXPIMGNYGLBUAE-UHFFFAOYSA-N
MW293.71 g/mol
LogP1.80
Rot. Bonds4

About 2-(4-chloro-N-(2-methylpyrazole-3-carbonyl)anilino)acetic acid

2-(4-chloro-N-(2-methylpyrazole-3-carbonyl)anilino)acetic acid (PubChem CID 60826661) has the molecular formula C13H12ClN3O3 and a molecular weight of 293.71 g/mol. Its IUPAC name is 2-(4-chloro-N-(2-methylpyrazole-3-carbonyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-N-(2-methylpyrazole-3-carbonyl)anilino)acetic acid
PubChem CID60826661
Molecular FormulaC13H12ClN3O3
Molecular Weight293.71 g/mol
Exact Mass293.06
IUPAC Name2-(4-chloro-N-(2-methylpyrazole-3-carbonyl)anilino)acetic acid
SMILESCn1nccc1C(=O)N(CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClN3O3/c1-16-11(6-7-15-16)13(20)17(8-12(18)19)10-4-2-9(14)3-5-10/h2-7H,8H2,1H3,(H,18,19)
InChIKeyBXPIMGNYGLBUAE-UHFFFAOYSA-N
XLogP1.80
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid
CID 60826824
2-(4-chloro-N-(1,5-dimethylpyrazole-4-carbonyl)anilino)acetic acid
CID 60825165
2-[ethyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid
CID 61011424
2-[4-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]anilino]acetic acid
CID 106758938
2-[(2-methylpyrazole-3-carbonyl)-propylamino]acetic acid
CID 61006717
3-[(2-methylpyrazole-3-carbonyl)-propan-2-ylamino]propanoic acid
CID 54926839
2-(N-(2,5-dimethylpyrazole-3-carbonyl)-4-methylanilino)acetic acid
CID 66126674
2-(4-chloro-N-(5-ethylfuran-2-carbonyl)anilino)acetic acid
CID 60825317
2-methyl-N,N-diphenylpyrazole-3-carboxamide
CID 167438235
2-(N-(4-bromobenzoyl)-4-chloroanilino)acetic acid
CID 60825460
2-(N-(2,5-dimethylpyrazole-3-carbonyl)-4-hydroxyanilino)acetic acid
CID 66126888
2-(N-(3-bromopyridine-2-carbonyl)-4-chloroanilino)acetic acid
CID 107517015

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-(2-methylpyrazole-3-carbonyl)anilino)acetic acid?
The IUPAC name of 2-(4-chloro-N-(2-methylpyrazole-3-carbonyl)anilino)acetic acid (CID 60826661) is 2-(4-chloro-N-(2-methylpyrazole-3-carbonyl)anilino)acetic acid.
What is the SMILES notation for 2-(4-chloro-N-(2-methylpyrazole-3-carbonyl)anilino)acetic acid?
The canonical SMILES for 2-(4-chloro-N-(2-methylpyrazole-3-carbonyl)anilino)acetic acid is Cn1nccc1C(=O)N(CC(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloro-N-(2-methylpyrazole-3-carbonyl)anilino)acetic acid?
The InChIKey is BXPIMGNYGLBUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3/c1-16-11(6-7-15-16)13(20)17(8-12(18)19)10-4-2-9(14)3-5-10/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 2-(4-chloro-N-(2-methylpyrazole-3-carbonyl)anilino)acetic acid?
2-(4-chloro-N-(2-methylpyrazole-3-carbonyl)anilino)acetic acid has a molecular weight of 293.71 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-(2-methylpyrazole-3-carbonyl)anilino)acetic acid is sourced from PubChem (CID 60826661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).