oxolan-3-ylmethyl 3-amino-1H-pyrazole-5-carboxylate

C9H13N3O3 — CID 64526057

IUPACoxolan-3-ylmethyl 3-amino-1H-pyrazole-5-carboxylate
SMILESNc1cc(C(=O)OCC2CCOC2)[nH]n1
InChIInChI=1S/C9H13N3O3/c10-8-3-7(11-12-8)9(13)15-5-6-1-2-14-4-6/h3,6H,1-2,4-5H2,(H3,10,11,12)
InChIKeyOANWROZTPFCPSW-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.19
Rot. Bonds3

About oxolan-3-ylmethyl 3-amino-1H-pyrazole-5-carboxylate

oxolan-3-ylmethyl 3-amino-1H-pyrazole-5-carboxylate (PubChem CID 64526057) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is oxolan-3-ylmethyl 3-amino-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameoxolan-3-ylmethyl 3-amino-1H-pyrazole-5-carboxylate
PubChem CID64526057
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Nameoxolan-3-ylmethyl 3-amino-1H-pyrazole-5-carboxylate
SMILESNc1cc(C(=O)OCC2CCOC2)[nH]n1
InChIInChI=1S/C9H13N3O3/c10-8-3-7(11-12-8)9(13)15-5-6-1-2-14-4-6/h3,6H,1-2,4-5H2,(H3,10,11,12)
InChIKeyOANWROZTPFCPSW-UHFFFAOYSA-N
XLogP0.19
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

oxolan-3-ylmethyl 3-amino-4-hydroxybenzoate
CID 107265591
oxolan-3-ylmethyl 5-amino-2,4-difluorobenzoate
CID 61316191
cyclobutyl 3-amino-1H-pyrazole-5-carboxylate
CID 64526059
3-amino-N-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide
CID 64524424
oxolan-3-ylmethyl 6-amino-1,3-benzodioxole-5-carboxylate
CID 103543566
3-amino-N-(oxan-3-yl)-1H-pyrazole-5-carboxamide
CID 64525648
oxolan-3-ylmethyl 4-chlorosulfonyl-5-propan-2-yl-1H-pyrazole-3-carboxylate
CID 65373946
oxolan-3-ylmethyl 4-amino-5-chloro-2-methoxybenzoate
CID 61238863
oxolan-3-ylmethyl 2,5-difluoro-4-nitrobenzoate
CID 104700556
oxolan-3-ylmethyl 2,3-difluorobenzoate
CID 62865708
oxolan-3-ylmethyl 2-chloroquinoline-4-carboxylate
CID 61237122
oxolan-3-ylmethyl 3,4-dichloro-5-chlorosulfonylbenzoate
CID 65375100

Frequently Asked Questions

What is the IUPAC name of oxolan-3-ylmethyl 3-amino-1H-pyrazole-5-carboxylate?
The IUPAC name of oxolan-3-ylmethyl 3-amino-1H-pyrazole-5-carboxylate (CID 64526057) is oxolan-3-ylmethyl 3-amino-1H-pyrazole-5-carboxylate.
What is the SMILES notation for oxolan-3-ylmethyl 3-amino-1H-pyrazole-5-carboxylate?
The canonical SMILES for oxolan-3-ylmethyl 3-amino-1H-pyrazole-5-carboxylate is Nc1cc(C(=O)OCC2CCOC2)[nH]n1.
What is the InChIKey of oxolan-3-ylmethyl 3-amino-1H-pyrazole-5-carboxylate?
The InChIKey is OANWROZTPFCPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c10-8-3-7(11-12-8)9(13)15-5-6-1-2-14-4-6/h3,6H,1-2,4-5H2,(H3,10,11,12).
What are the key properties of oxolan-3-ylmethyl 3-amino-1H-pyrazole-5-carboxylate?
oxolan-3-ylmethyl 3-amino-1H-pyrazole-5-carboxylate has a molecular weight of 211.22 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-ylmethyl 3-amino-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 64526057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).