2-[[2-[4-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]acetyl]amino]acetic acid

C20H26N4O4 — CID 119224325

IUPAC2-[[2-[4-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]acetyl]amino]acetic acid
SMILESCCc1c(C(=O)Nc2ccc(CC(=O)NCC(=O)O)cc2)cnn1C(C)(C)C
InChIInChI=1S/C20H26N4O4/c1-5-16-15(11-22-24(16)20(2,3)4)19(28)23-14-8-6-13(7-9-14)10-17(25)21-12-18(26)27/h6-9,11H,5,10,12H2,1-4H3,(H,21,25)(H,23,28)(H,26,27)
InChIKeyJESSCAJGNIGONF-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.20
Rot. Bonds7

About 2-[[2-[4-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]acetyl]amino]acetic acid

2-[[2-[4-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]acetyl]amino]acetic acid (PubChem CID 119224325) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-[[2-[4-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[4-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]acetyl]amino]acetic acid
PubChem CID119224325
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name2-[[2-[4-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]acetyl]amino]acetic acid
SMILESCCc1c(C(=O)Nc2ccc(CC(=O)NCC(=O)O)cc2)cnn1C(C)(C)C
InChIInChI=1S/C20H26N4O4/c1-5-16-15(11-22-24(16)20(2,3)4)19(28)23-14-8-6-13(7-9-14)10-17(25)21-12-18(26)27/h6-9,11H,5,10,12H2,1-4H3,(H,21,25)(H,23,28)(H,26,27)
InChIKeyJESSCAJGNIGONF-UHFFFAOYSA-N
XLogP2.20
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[4-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]acetyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120541354
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-tert-butyl-5-ethylpyrazole-4-carboxamide
CID 120566661
2-[5-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]indol-1-yl]acetic acid
CID 119235427
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-tert-butyl-5-ethylpyrazole-4-carboxamide;hydrochloride
CID 120566660
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-tert-butyl-5-ethylpyrazole-4-carboxamide
CID 120605053
2-[[2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224356
4-[4-[[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]methyl]phenoxy]butanoic acid
CID 119247083
2-[[2-[4-[[2-(3,3-dimethylbutanoylamino)acetyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224549
1-tert-butyl-5-ethyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide
CID 120826921
2-[[2-[4-[(4-ethylthiadiazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224561
2-[[2-[4-[(1-propan-2-ylpyrazole-3-carbonyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224298
5-ethyl-N,1-bis(4-methylphenyl)pyrazole-4-carboxamide
CID 46584156

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[4-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]acetyl]amino]acetic acid (CID 119224325) is 2-[[2-[4-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[4-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[4-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]acetyl]amino]acetic acid is CCc1c(C(=O)Nc2ccc(CC(=O)NCC(=O)O)cc2)cnn1C(C)(C)C.
What is the InChIKey of 2-[[2-[4-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]acetyl]amino]acetic acid?
The InChIKey is JESSCAJGNIGONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-5-16-15(11-22-24(16)20(2,3)4)19(28)23-14-8-6-13(7-9-14)10-17(25)21-12-18(26)27/h6-9,11H,5,10,12H2,1-4H3,(H,21,25)(H,23,28)(H,26,27).
What are the key properties of 2-[[2-[4-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]acetyl]amino]acetic acid?
2-[[2-[4-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]acetyl]amino]acetic acid has a molecular weight of 386.45 g/mol, XLogP of 2.20, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]acetyl]amino]acetic acid is sourced from PubChem (CID 119224325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).