3-[cyclopropyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid

C15H23N3O3 — CID 136551490

IUPAC3-[cyclopropyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCc1nn(C(C)C)cc1C(=O)N(CC(C)C(=O)O)C1CC1
InChIInChI=1S/C15H23N3O3/c1-9(2)18-8-13(11(4)16-18)14(19)17(12-5-6-12)7-10(3)15(20)21/h8-10,12H,5-7H2,1-4H3,(H,20,21)
InChIKeyQQZZGQGMIJXAOK-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.10
Rot. Bonds6

About 3-[cyclopropyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid

3-[cyclopropyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 136551490) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[cyclopropyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid
PubChem CID136551490
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-[cyclopropyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCc1nn(C(C)C)cc1C(=O)N(CC(C)C(=O)O)C1CC1
InChIInChI=1S/C15H23N3O3/c1-9(2)18-8-13(11(4)16-18)14(19)17(12-5-6-12)7-10(3)15(20)21/h8-10,12H,5-7H2,1-4H3,(H,20,21)
InChIKeyQQZZGQGMIJXAOK-UHFFFAOYSA-N
XLogP2.10
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclobutyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]acetic acid
CID 154740857
3-[cyclopropyl-(3-methyl-1,2-thiazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 120535256
(2S)-3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid
CID 95540234
3-[cyclopropyl-(2-methylsulfanylbenzoyl)amino]-2-methylpropanoic acid
CID 120977103
(2R)-3-[cyclopropyl-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]-2-methylpropanoic acid
CID 97338809
3-[cyclopropyl-[4-(diethylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid
CID 120689451
(2R)-3-[cyclopropyl-(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 95540195
3-[cyclopropyl-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]-2-methylpropanoic acid
CID 120535230
3-[cyclopropyl-(3,4-dimethylbenzoyl)amino]-2-methylpropanoic acid
CID 82325036
3-[cyclopropyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 120535407
(2R)-3-[cyclopropyl-(3-methylbenzoyl)amino]-2-methylpropanoic acid
CID 95539938
(2R)-3-[cyclopropyl-(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-2-methylpropanoic acid
CID 129414956

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[cyclopropyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid (CID 136551490) is 3-[cyclopropyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[cyclopropyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid is Cc1nn(C(C)C)cc1C(=O)N(CC(C)C(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is QQZZGQGMIJXAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-9(2)18-8-13(11(4)16-18)14(19)17(12-5-6-12)7-10(3)15(20)21/h8-10,12H,5-7H2,1-4H3,(H,20,21).
What are the key properties of 3-[cyclopropyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid?
3-[cyclopropyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 293.37 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 136551490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).