4-methyl-4-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]pentanoic acid

C18H23N3O3 — CID 120519400

IUPAC4-methyl-4-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]pentanoic acid
SMILESCc1ccc(-n2nc(C(=O)NC(C)(C)CCC(=O)O)cc2C)cc1
InChIInChI=1S/C18H23N3O3/c1-12-5-7-14(8-6-12)21-13(2)11-15(20-21)17(24)19-18(3,4)10-9-16(22)23/h5-8,11H,9-10H2,1-4H3,(H,19,24)(H,22,23)
InChIKeyQQQYSGPQFQPYCT-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.86
Rot. Bonds6

About 4-methyl-4-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]pentanoic acid

4-methyl-4-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]pentanoic acid (PubChem CID 120519400) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-methyl-4-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]pentanoic acid
PubChem CID120519400
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name4-methyl-4-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]pentanoic acid
SMILESCc1ccc(-n2nc(C(=O)NC(C)(C)CCC(=O)O)cc2C)cc1
InChIInChI=1S/C18H23N3O3/c1-12-5-7-14(8-6-12)21-13(2)11-15(20-21)17(24)19-18(3,4)10-9-16(22)23/h5-8,11H,9-10H2,1-4H3,(H,19,24)(H,22,23)
InChIKeyQQQYSGPQFQPYCT-UHFFFAOYSA-N
XLogP2.86
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]pentanoic acid (CID 120519400) is 4-methyl-4-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]pentanoic acid is Cc1ccc(-n2nc(C(=O)NC(C)(C)CCC(=O)O)cc2C)cc1.
What is the InChIKey of 4-methyl-4-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]pentanoic acid?
The InChIKey is QQQYSGPQFQPYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12-5-7-14(8-6-12)21-13(2)11-15(20-21)17(24)19-18(3,4)10-9-16(22)23/h5-8,11H,9-10H2,1-4H3,(H,19,24)(H,22,23).
What are the key properties of 4-methyl-4-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]pentanoic acid?
4-methyl-4-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]pentanoic acid has a molecular weight of 329.40 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 120519400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).