3-[cyclopropyl-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]-2-methylpropanoic acid

C19H23N3O3 — CID 120535230

IUPAC3-[cyclopropyl-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]-2-methylpropanoic acid
SMILESCc1ccc(-n2nc(C(=O)N(CC(C)C(=O)O)C3CC3)cc2C)cc1
InChIInChI=1S/C19H23N3O3/c1-12-4-6-16(7-5-12)22-14(3)10-17(20-22)18(23)21(15-8-9-15)11-13(2)19(24)25/h4-7,10,13,15H,8-9,11H2,1-3H3,(H,24,25)
InChIKeyVGMYOESZGJDBCU-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.81
Rot. Bonds6

About 3-[cyclopropyl-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]-2-methylpropanoic acid

3-[cyclopropyl-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]-2-methylpropanoic acid (PubChem CID 120535230) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-[cyclopropyl-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]-2-methylpropanoic acid
PubChem CID120535230
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-[cyclopropyl-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]-2-methylpropanoic acid
SMILESCc1ccc(-n2nc(C(=O)N(CC(C)C(=O)O)C3CC3)cc2C)cc1
InChIInChI=1S/C19H23N3O3/c1-12-4-6-16(7-5-12)22-14(3)10-17(20-22)18(23)21(15-8-9-15)11-13(2)19(24)25/h4-7,10,13,15H,8-9,11H2,1-3H3,(H,24,25)
InChIKeyVGMYOESZGJDBCU-UHFFFAOYSA-N
XLogP2.81
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclopropyl-[1-(2,4-dichlorophenyl)-5-methylpyrazole-3-carbonyl]amino]-2-methylpropanoic acid
CID 120535197
(2R)-3-[cyclopropyl-[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]-2-methylpropanoic acid
CID 124689371
2-[cyclopropyl-(5-methyl-1-phenylpyrazole-3-carbonyl)amino]acetic acid
CID 119194677
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55757023
(2R)-3-[cyclopropyl-(3-methylbenzoyl)amino]-2-methylpropanoic acid
CID 95539938
3-[cyclopropyl-[4-(diethylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid
CID 120689451
3-[(5-methyl-1-phenylpyrazole-3-carbonyl)-(oxan-4-yl)amino]propanoic acid
CID 119212253
3-[cyclopropyl-(3,4-dimethylbenzoyl)amino]-2-methylpropanoic acid
CID 82325036
2-[[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid
CID 120517696
(2R)-3-[cyclopropyl-(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 95540195
(2S)-3-[cyclopropyl-(3-fluoro-4-methylbenzoyl)amino]-2-methylpropanoic acid
CID 124691127
3-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]-2-methylpropanoic acid
CID 91660011

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[cyclopropyl-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]-2-methylpropanoic acid (CID 120535230) is 3-[cyclopropyl-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[cyclopropyl-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]-2-methylpropanoic acid is Cc1ccc(-n2nc(C(=O)N(CC(C)C(=O)O)C3CC3)cc2C)cc1.
What is the InChIKey of 3-[cyclopropyl-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]-2-methylpropanoic acid?
The InChIKey is VGMYOESZGJDBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-12-4-6-16(7-5-12)22-14(3)10-17(20-22)18(23)21(15-8-9-15)11-13(2)19(24)25/h4-7,10,13,15H,8-9,11H2,1-3H3,(H,24,25).
What are the key properties of 3-[cyclopropyl-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]-2-methylpropanoic acid?
3-[cyclopropyl-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]-2-methylpropanoic acid has a molecular weight of 341.41 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 120535230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).