2-[[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid

C17H20N4O4 — CID 71915540

IUPAC2-[[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid
SMILESCC(C)c1cc(C(=O)Nc2cccc(C(=O)NCC(=O)O)c2)nn1C
InChIInChI=1S/C17H20N4O4/c1-10(2)14-8-13(20-21(14)3)17(25)19-12-6-4-5-11(7-12)16(24)18-9-15(22)23/h4-8,10H,9H2,1-3H3,(H,18,24)(H,19,25)(H,22,23)
InChIKeyUGSZTCNTGIFSJL-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.61
Rot. Bonds6

About 2-[[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid

2-[[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid (PubChem CID 71915540) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-[[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid
PubChem CID71915540
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name2-[[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid
SMILESCC(C)c1cc(C(=O)Nc2cccc(C(=O)NCC(=O)O)c2)nn1C
InChIInChI=1S/C17H20N4O4/c1-10(2)14-8-13(20-21(14)3)17(25)19-12-6-4-5-11(7-12)16(24)18-9-15(22)23/h4-8,10H,9H2,1-3H3,(H,18,24)(H,19,25)(H,22,23)
InChIKeyUGSZTCNTGIFSJL-UHFFFAOYSA-N
XLogP1.61
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]phenoxy]acetic acid
CID 119224878
N-(4-hydroxyphenyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide
CID 75386647
2-[[3-[(4-methylbenzoyl)amino]benzoyl]amino]acetic acid
CID 90870302
N-[3-(ethylcarbamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51150164
2-[(3-propan-2-ylbenzoyl)amino]acetic acid
CID 90058974
2-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]acetic acid
CID 58944712
2-[[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid
CID 120522620
1-methyl-5-propan-2-yl-N-pyridin-2-ylpyrazole-3-carboxamide
CID 110674207
2-[[3-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoyl]amino]acetic acid
CID 71936304
1-methyl-N-[2-(methylamino)ethyl]-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride
CID 119501561
2,2-dimethyl-3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid
CID 119250261
N-[3-(ethylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide
CID 46421897

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid (CID 71915540) is 2-[[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid is CC(C)c1cc(C(=O)Nc2cccc(C(=O)NCC(=O)O)c2)nn1C.
What is the InChIKey of 2-[[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid?
The InChIKey is UGSZTCNTGIFSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-10(2)14-8-13(20-21(14)3)17(25)19-12-6-4-5-11(7-12)16(24)18-9-15(22)23/h4-8,10H,9H2,1-3H3,(H,18,24)(H,19,25)(H,22,23).
What are the key properties of 2-[[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid?
2-[[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid has a molecular weight of 344.37 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid is sourced from PubChem (CID 71915540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).