4-amino-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazole-5-carboxylic acid

C10H12N4O3 — CID 96595001

IUPAC4-amino-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazole-5-carboxylic acid
SMILESCc1noc(C)c1-c1nn(C)c(C(=O)O)c1N
InChIInChI=1S/C10H12N4O3/c1-4-6(5(2)17-13-4)8-7(11)9(10(15)16)14(3)12-8/h11H2,1-3H3,(H,15,16)
InChIKeyDRLPJAXZHWLSNA-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.97
Rot. Bonds2

About 4-amino-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazole-5-carboxylic acid

4-amino-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazole-5-carboxylic acid (PubChem CID 96595001) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 4-amino-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazole-5-carboxylic acid
PubChem CID96595001
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name4-amino-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazole-5-carboxylic acid
SMILESCc1noc(C)c1-c1nn(C)c(C(=O)O)c1N
InChIInChI=1S/C10H12N4O3/c1-4-6(5(2)17-13-4)8-7(11)9(10(15)16)14(3)12-8/h11H2,1-3H3,(H,15,16)
InChIKeyDRLPJAXZHWLSNA-UHFFFAOYSA-N
XLogP0.97
TPSA107.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-3-cyclopropyl-1-methylpyrazole-5-carboxylic acid
CID 82408526
2-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-3-carboxylic acid
CID 53222591
4-hydroxy-1,3-dimethylpyrazole-5-carboxylic acid
CID 67201688
3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(methylamino)benzoic acid
CID 141423687
2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-4-carboxylic acid
CID 53222598
4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine
CID 84750795
2-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid
CID 15354514
4-ethyl-1,3-dimethylpyrazole-5-carboxylic acid
CID 83695194
3-amino-4-iodo-1-methylpyrazole-5-carboxylic acid;hydrochloride
CID 102565500
4-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrole-2-carboxylic acid
CID 165455449
1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-pyrazol-3-yl]sulfanyl]propan-2-one
CID 158037749
(4-amino-1,3-dimethylpyrazol-5-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 66125351

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 4-amino-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazole-5-carboxylic acid (CID 96595001) is 4-amino-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-amino-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-amino-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazole-5-carboxylic acid is Cc1noc(C)c1-c1nn(C)c(C(=O)O)c1N.
What is the InChIKey of 4-amino-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazole-5-carboxylic acid?
The InChIKey is DRLPJAXZHWLSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-4-6(5(2)17-13-4)8-7(11)9(10(15)16)14(3)12-8/h11H2,1-3H3,(H,15,16).
What are the key properties of 4-amino-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazole-5-carboxylic acid?
4-amino-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazole-5-carboxylic acid has a molecular weight of 236.23 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 96595001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).