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

C10H15N3O3 — CID 62675345

IUPAC3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCc1n[nH]c(C)c1C(=O)NCC(C)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-5(10(15)16)4-11-9(14)8-6(2)12-13-7(8)3/h5H,4H2,1-3H3,(H,11,14)(H,12,13)(H,15,16)
InChIKeyWPIRUWFCYAPDKQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.48
Rot. Bonds4

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

3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 62675345) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylpropanoic acid
PubChem CID62675345
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCc1n[nH]c(C)c1C(=O)NCC(C)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-5(10(15)16)4-11-9(14)8-6(2)12-13-7(8)3/h5H,4H2,1-3H3,(H,11,14)(H,12,13)(H,15,16)
InChIKeyWPIRUWFCYAPDKQ-UHFFFAOYSA-N
XLogP0.48
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-(2-methylbutyl)-1H-pyrazole-4-carboxamide
CID 62691865
N-(2-ethoxypropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 115664893
N-(2,2-diethoxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 79547804
6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylheptanoic acid
CID 65286168
3,5-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrazole-4-carboxamide
CID 112690090
4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methoxybutanoic acid
CID 103153138
3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427297
N-[2-(2-hydroxypropylamino)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 104593791
3,5-dimethyl-N-(2-piperidin-1-ylpropyl)-1H-pyrazole-4-carboxamide
CID 54903954
3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide
CID 43582292
N-(2-hydroxy-3-phenylpropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 111107196
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-methylpropanoic acid?
The IUPAC name of 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylpropanoic acid (CID 62675345) is 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylpropanoic acid is Cc1n[nH]c(C)c1C(=O)NCC(C)C(=O)O.
What is the InChIKey of 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is WPIRUWFCYAPDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-5(10(15)16)4-11-9(14)8-6(2)12-13-7(8)3/h5H,4H2,1-3H3,(H,11,14)(H,12,13)(H,15,16).
What are the key properties of 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylpropanoic acid?
3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.48, 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-methylpropanoic acid is sourced from PubChem (CID 62675345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).