oxolan-2-ylmethyl 4-amino-1-methylpyrazole-3-carboxylate

C10H15N3O3 — CID 65355547

IUPACoxolan-2-ylmethyl 4-amino-1-methylpyrazole-3-carboxylate
SMILESCn1cc(N)c(C(=O)OCC2CCCO2)n1
InChIInChI=1S/C10H15N3O3/c1-13-5-8(11)9(12-13)10(14)16-6-7-3-2-4-15-7/h5,7H,2-4,6,11H2,1H3
InChIKeyHYLMLEXMNOZDBY-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.34
Rot. Bonds3

About oxolan-2-ylmethyl 4-amino-1-methylpyrazole-3-carboxylate

oxolan-2-ylmethyl 4-amino-1-methylpyrazole-3-carboxylate (PubChem CID 65355547) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is oxolan-2-ylmethyl 4-amino-1-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 4-amino-1-methylpyrazole-3-carboxylate
PubChem CID65355547
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Nameoxolan-2-ylmethyl 4-amino-1-methylpyrazole-3-carboxylate
SMILESCn1cc(N)c(C(=O)OCC2CCCO2)n1
InChIInChI=1S/C10H15N3O3/c1-13-5-8(11)9(12-13)10(14)16-6-7-3-2-4-15-7/h5,7H,2-4,6,11H2,1H3
InChIKeyHYLMLEXMNOZDBY-UHFFFAOYSA-N
XLogP0.34
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

oxolan-2-ylmethyl 3-aminopyrazine-2-carboxylate
CID 60730655
oxolan-2-ylmethyl 3-aminopyridine-2-carboxylate
CID 103993274
oxolan-2-ylmethyl 4-aminobenzoate
CID 21240891
1-methyl-3-N-[2-(oxolan-2-yl)ethyl]pyrazole-3,4-diamine
CID 103078320
oxolan-2-ylmethyl 1-(4-aminophenyl)pyrazole-3-carboxylate
CID 61309256
oxolan-2-ylmethyl pyridine-4-carboxylate
CID 533036
oxolan-2-ylmethyl 2,6-dichloropyridine-4-carboxylate
CID 63841492
oxolan-2-ylmethyl 5-amino-2,4-difluorobenzoate
CID 61279294
oxan-2-ylmethyl 3-amino-4-methylbenzoate
CID 60730857
oxan-2-ylmethyl 4-amino-1-propylpyrrole-2-carboxylate
CID 61309823
oxolan-2-ylmethyl 5-amino-2-methylpyridine-3-carboxylate
CID 61310245
(4-amino-1-methylpyrazol-3-yl)-(2-ethylmorpholin-4-yl)methanone
CID 65354771

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 4-amino-1-methylpyrazole-3-carboxylate?
The IUPAC name of oxolan-2-ylmethyl 4-amino-1-methylpyrazole-3-carboxylate (CID 65355547) is oxolan-2-ylmethyl 4-amino-1-methylpyrazole-3-carboxylate.
What is the SMILES notation for oxolan-2-ylmethyl 4-amino-1-methylpyrazole-3-carboxylate?
The canonical SMILES for oxolan-2-ylmethyl 4-amino-1-methylpyrazole-3-carboxylate is Cn1cc(N)c(C(=O)OCC2CCCO2)n1.
What is the InChIKey of oxolan-2-ylmethyl 4-amino-1-methylpyrazole-3-carboxylate?
The InChIKey is HYLMLEXMNOZDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-13-5-8(11)9(12-13)10(14)16-6-7-3-2-4-15-7/h5,7H,2-4,6,11H2,1H3.
What are the key properties of oxolan-2-ylmethyl 4-amino-1-methylpyrazole-3-carboxylate?
oxolan-2-ylmethyl 4-amino-1-methylpyrazole-3-carboxylate has a molecular weight of 225.25 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 4-amino-1-methylpyrazole-3-carboxylate is sourced from PubChem (CID 65355547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).