3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2,2-dimethylpropanoic acid

C11H17N3O3 — CID 115427297

IUPAC3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2,2-dimethylpropanoic acid
SMILESCc1n[nH]c(C)c1C(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C11H17N3O3/c1-6-8(7(2)14-13-6)9(15)12-5-11(3,4)10(16)17/h5H2,1-4H3,(H,12,15)(H,13,14)(H,16,17)
InChIKeyUHSCYYOCRQKNRO-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.87
Rot. Bonds4

About 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2,2-dimethylpropanoic acid

3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2,2-dimethylpropanoic acid (PubChem CID 115427297) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2,2-dimethylpropanoic acid
PubChem CID115427297
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2,2-dimethylpropanoic acid
SMILESCc1n[nH]c(C)c1C(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C11H17N3O3/c1-6-8(7(2)14-13-6)9(15)12-5-11(3,4)10(16)17/h5H2,1-4H3,(H,12,15)(H,13,14)(H,16,17)
InChIKeyUHSCYYOCRQKNRO-UHFFFAOYSA-N
XLogP0.87
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)-1H-pyrazole-4-carboxamide
CID 115665363
N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 103825509
N-(2-amino-2-ethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 113283180
3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 62675345
2,2-dimethyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
CID 81367172
3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide
CID 43582292
3,5-dimethyl-N-(2-methylbutyl)-1H-pyrazole-4-carboxamide
CID 62691865
3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 115427468
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 107854505
N-(2,2-diethoxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 79547804
4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methoxybutanoic acid
CID 103153138
3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]butanoic acid
CID 43583226

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2,2-dimethylpropanoic acid (CID 115427297) is 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2,2-dimethylpropanoic acid is Cc1n[nH]c(C)c1C(=O)NCC(C)(C)C(=O)O.
What is the InChIKey of 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2,2-dimethylpropanoic acid?
The InChIKey is UHSCYYOCRQKNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-6-8(7(2)14-13-6)9(15)12-5-11(3,4)10(16)17/h5H2,1-4H3,(H,12,15)(H,13,14)(H,16,17).
What are the key properties of 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2,2-dimethylpropanoic acid?
3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2,2-dimethylpropanoic acid has a molecular weight of 239.27 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 115427297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).