methyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazole-4-carboxylate

C10H11N3O3 — CID 2744662

IUPACmethyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazole-4-carboxylate
SMILESCOC(=O)c1c(-c2cc(C)on2)n[nH]c1C
InChIInChI=1S/C10H11N3O3/c1-5-4-7(13-16-5)9-8(10(14)15-3)6(2)11-12-9/h4H,1-3H3,(H,11,12)
InChIKeyXUTOTPDIDDXYEV-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.47
Rot. Bonds2

About methyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazole-4-carboxylate

methyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazole-4-carboxylate (PubChem CID 2744662) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is methyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazole-4-carboxylate
PubChem CID2744662
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Namemethyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazole-4-carboxylate
SMILESCOC(=O)c1c(-c2cc(C)on2)n[nH]c1C
InChIInChI=1S/C10H11N3O3/c1-5-4-7(13-16-5)9-8(10(14)15-3)6(2)11-12-9/h4H,1-3H3,(H,11,12)
InChIKeyXUTOTPDIDDXYEV-UHFFFAOYSA-N
XLogP1.47
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3,5-dimethyl-1H-pyrazole-4-carboxylate
CID 2753080
ethyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylate
CID 134367383
dimethyl 2-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4,5-dicarboxylate
CID 102953712
methyl 5-methyl-3-methylsulfanyl-1H-pyrazole-4-carboxylate
CID 151631715
3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbohydrazide
CID 2744821
methyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate
CID 776547
methyl 3-(2-chlorobenzoyl)-5-methyl-1H-pyrazole-4-carboxylate
CID 70433022
methyl 5-chloro-3-(6-fluoro-2-pyridinyl)-1H-pyrazole-4-carboxylate
CID 23055536
methyl 5-methyl-3-(phenoxymethyl)-1H-pyrazole-4-carboxylate
CID 2746179
methyl 3-(5-methylfuran-2-yl)-1H-pyrazole-5-carboxylate
CID 4737236
methyl 5-[3,5-bis(4-methoxycarbonyl-3-phenyl-1,2-oxazol-5-yl)phenyl]-3-phenyl-1,2-oxazole-4-carboxylate
CID 71829962
methyl 2-chloro-3-(5-methyl-1,2-oxazol-3-yl)-4-(trifluoromethoxy)benzoate
CID 177043638

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazole-4-carboxylate?
The IUPAC name of methyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazole-4-carboxylate (CID 2744662) is methyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazole-4-carboxylate?
The canonical SMILES for methyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazole-4-carboxylate is COC(=O)c1c(-c2cc(C)on2)n[nH]c1C.
What is the InChIKey of methyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazole-4-carboxylate?
The InChIKey is XUTOTPDIDDXYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-5-4-7(13-16-5)9-8(10(14)15-3)6(2)11-12-9/h4H,1-3H3,(H,11,12).
What are the key properties of methyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazole-4-carboxylate?
methyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazole-4-carboxylate has a molecular weight of 221.22 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 2744662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).