oxolan-3-yl 4-amino-1,3-dimethylpyrazole-5-carboxylate

C10H15N3O3 — CID 66124028

IUPACoxolan-3-yl 4-amino-1,3-dimethylpyrazole-5-carboxylate
SMILESCc1nn(C)c(C(=O)OC2CCOC2)c1N
InChIInChI=1S/C10H15N3O3/c1-6-8(11)9(13(2)12-6)10(14)16-7-3-4-15-5-7/h7H,3-5,11H2,1-2H3
InChIKeyMESPBIZPUURYCQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.26
Rot. Bonds2

About oxolan-3-yl 4-amino-1,3-dimethylpyrazole-5-carboxylate

oxolan-3-yl 4-amino-1,3-dimethylpyrazole-5-carboxylate (PubChem CID 66124028) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is oxolan-3-yl 4-amino-1,3-dimethylpyrazole-5-carboxylate.

Molecular Properties

Compound Nameoxolan-3-yl 4-amino-1,3-dimethylpyrazole-5-carboxylate
PubChem CID66124028
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Nameoxolan-3-yl 4-amino-1,3-dimethylpyrazole-5-carboxylate
SMILESCc1nn(C)c(C(=O)OC2CCOC2)c1N
InChIInChI=1S/C10H15N3O3/c1-6-8(11)9(13(2)12-6)10(14)16-7-3-4-15-5-7/h7H,3-5,11H2,1-2H3
InChIKeyMESPBIZPUURYCQ-UHFFFAOYSA-N
XLogP0.26
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 4-amino-1,3-dimethylpyrazole-5-carboxylate?
The IUPAC name of oxolan-3-yl 4-amino-1,3-dimethylpyrazole-5-carboxylate (CID 66124028) is oxolan-3-yl 4-amino-1,3-dimethylpyrazole-5-carboxylate.
What is the SMILES notation for oxolan-3-yl 4-amino-1,3-dimethylpyrazole-5-carboxylate?
The canonical SMILES for oxolan-3-yl 4-amino-1,3-dimethylpyrazole-5-carboxylate is Cc1nn(C)c(C(=O)OC2CCOC2)c1N.
What is the InChIKey of oxolan-3-yl 4-amino-1,3-dimethylpyrazole-5-carboxylate?
The InChIKey is MESPBIZPUURYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6-8(11)9(13(2)12-6)10(14)16-7-3-4-15-5-7/h7H,3-5,11H2,1-2H3.
What are the key properties of oxolan-3-yl 4-amino-1,3-dimethylpyrazole-5-carboxylate?
oxolan-3-yl 4-amino-1,3-dimethylpyrazole-5-carboxylate has a molecular weight of 225.25 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 4-amino-1,3-dimethylpyrazole-5-carboxylate is sourced from PubChem (CID 66124028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).