2-[[2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid

C19H24N4O4 — CID 119224356

IUPAC2-[[2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid
SMILESCn1nc(C(C)(C)C)cc1C(=O)Nc1ccc(CC(=O)NCC(=O)O)cc1
InChIInChI=1S/C19H24N4O4/c1-19(2,3)15-10-14(23(4)22-15)18(27)21-13-7-5-12(6-8-13)9-16(24)20-11-17(25)26/h5-8,10H,9,11H2,1-4H3,(H,20,24)(H,21,27)(H,25,26)
InChIKeyKYQFVYDTIFHBRZ-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.71
Rot. Bonds6

About 2-[[2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid

2-[[2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid (PubChem CID 119224356) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-[[2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid
PubChem CID119224356
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name2-[[2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid
SMILESCn1nc(C(C)(C)C)cc1C(=O)Nc1ccc(CC(=O)NCC(=O)O)cc1
InChIInChI=1S/C19H24N4O4/c1-19(2,3)15-10-14(23(4)22-15)18(27)21-13-7-5-12(6-8-13)9-16(24)20-11-17(25)26/h5-8,10H,9,11H2,1-4H3,(H,20,24)(H,21,27)(H,25,26)
InChIKeyKYQFVYDTIFHBRZ-UHFFFAOYSA-N
XLogP1.71
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[4-[(3-tert-butyl-1-methylpyrazole-5-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

2-[[2-[4-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224336
3-tert-butyl-1-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrazole-5-carboxamide
CID 78898253
3-tert-butyl-1-methyl-N-naphthalen-2-ylpyrazole-5-carboxamide
CID 78893081
3-tert-butyl-N-(3,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 10734263
N-(6-amino-3-pyridinyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide
CID 119516235
3-(3-tert-butyl-1-methylpyrazol-5-yl)-3-oxopropanoic acid
CID 170887044
2-[[2-[4-[[2-(3,3-dimethylbutanoylamino)acetyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224549
2-[[2-[4-[(2-methoxyacetyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224391
N-(4-tert-butylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685894
2-[[2-[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]acetyl]amino]acetic acid
CID 120523442
2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-(4-methylphenyl)-2-oxoacetamide
CID 174498929
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 66128409

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid (CID 119224356) is 2-[[2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid is Cn1nc(C(C)(C)C)cc1C(=O)Nc1ccc(CC(=O)NCC(=O)O)cc1.
What is the InChIKey of 2-[[2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid?
The InChIKey is KYQFVYDTIFHBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-19(2,3)15-10-14(23(4)22-15)18(27)21-13-7-5-12(6-8-13)9-16(24)20-11-17(25)26/h5-8,10H,9,11H2,1-4H3,(H,20,24)(H,21,27)(H,25,26).
What are the key properties of 2-[[2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid?
2-[[2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid has a molecular weight of 372.43 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid is sourced from PubChem (CID 119224356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).