2-[[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid

C19H24N4O4 — CID 120522620

IUPAC2-[[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid
SMILESCCC(CC)n1nc(C(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)cc1C
InChIInChI=1S/C19H24N4O4/c1-4-15(5-2)23-12(3)10-16(22-23)19(27)21-14-8-6-13(7-9-14)18(26)20-11-17(24)25/h6-10,15H,4-5,11H2,1-3H3,(H,20,26)(H,21,27)(H,24,25)
InChIKeyQCLWDYKSSRQHJF-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.62
Rot. Bonds8

About 2-[[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid

2-[[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid (PubChem CID 120522620) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-[[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid
PubChem CID120522620
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name2-[[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid
SMILESCCC(CC)n1nc(C(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)cc1C
InChIInChI=1S/C19H24N4O4/c1-4-15(5-2)23-12(3)10-16(22-23)19(27)21-14-8-6-13(7-9-14)18(26)20-11-17(24)25/h6-10,15H,4-5,11H2,1-3H3,(H,20,26)(H,21,27)(H,24,25)
InChIKeyQCLWDYKSSRQHJF-UHFFFAOYSA-N
XLogP2.62
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid with MolForge

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Related Compounds

2-[[2-[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]acetyl]amino]acetic acid
CID 120523442
2-[[4-(2-methylbutanoylamino)benzoyl]amino]acetic acid
CID 24694310
5-methyl-N-phenyl-1-propan-2-ylpyrazole-3-carboxamide
CID 110681605
4-[(1,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid
CID 113263077
methyl 4-[(1-ethyl-5-methylpyrazole-3-carbonyl)amino]benzoate
CID 110681771
2-[[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid
CID 71915540
3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]-2-phenylpropanoic acid
CID 120528822
2-[[4-[(3,4-diaminobenzoyl)amino]benzoyl]amino]acetic acid
CID 142911227
4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]benzoic acid
CID 120515305
2-[[4-[3-(4-methylphenyl)pentanoylamino]benzoyl]amino]acetic acid
CID 119220552
2-[[2-[(4-acetamidobenzoyl)amino]acetyl]amino]acetic acid
CID 43465277
2-[[4-(dimethylcarbamoylamino)benzoyl]amino]acetic acid
CID 61196082

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid (CID 120522620) is 2-[[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid is CCC(CC)n1nc(C(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)cc1C.
What is the InChIKey of 2-[[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid?
The InChIKey is QCLWDYKSSRQHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-4-15(5-2)23-12(3)10-16(22-23)19(27)21-14-8-6-13(7-9-14)18(26)20-11-17(24)25/h6-10,15H,4-5,11H2,1-3H3,(H,20,26)(H,21,27)(H,24,25).
What are the key properties of 2-[[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid?
2-[[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid has a molecular weight of 372.43 g/mol, XLogP of 2.62, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid is sourced from PubChem (CID 120522620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).