3-methyl-N-(1H-pyrazol-5-yl)oxolane-2-carboxamide

C9H13N3O2 — CID 81448380

IUPAC3-methyl-N-(1H-pyrazol-5-yl)oxolane-2-carboxamide
SMILESCC1CCOC1C(=O)Nc1ccn[nH]1
InChIInChI=1S/C9H13N3O2/c1-6-3-5-14-8(6)9(13)11-7-2-4-10-12-7/h2,4,6,8H,3,5H2,1H3,(H2,10,11,12,13)
InChIKeyGNRRUYQKLIKPPE-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.77
Rot. Bonds2

About 3-methyl-N-(1H-pyrazol-5-yl)oxolane-2-carboxamide

3-methyl-N-(1H-pyrazol-5-yl)oxolane-2-carboxamide (PubChem CID 81448380) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-methyl-N-(1H-pyrazol-5-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1H-pyrazol-5-yl)oxolane-2-carboxamide
PubChem CID81448380
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-methyl-N-(1H-pyrazol-5-yl)oxolane-2-carboxamide
SMILESCC1CCOC1C(=O)Nc1ccn[nH]1
InChIInChI=1S/C9H13N3O2/c1-6-3-5-14-8(6)9(13)11-7-2-4-10-12-7/h2,4,6,8H,3,5H2,1H3,(H2,10,11,12,13)
InChIKeyGNRRUYQKLIKPPE-UHFFFAOYSA-N
XLogP0.77
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1H-pyrazol-5-yl)oxolane-2-carboxamide?
The IUPAC name of 3-methyl-N-(1H-pyrazol-5-yl)oxolane-2-carboxamide (CID 81448380) is 3-methyl-N-(1H-pyrazol-5-yl)oxolane-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(1H-pyrazol-5-yl)oxolane-2-carboxamide?
The canonical SMILES for 3-methyl-N-(1H-pyrazol-5-yl)oxolane-2-carboxamide is CC1CCOC1C(=O)Nc1ccn[nH]1.
What is the InChIKey of 3-methyl-N-(1H-pyrazol-5-yl)oxolane-2-carboxamide?
The InChIKey is GNRRUYQKLIKPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6-3-5-14-8(6)9(13)11-7-2-4-10-12-7/h2,4,6,8H,3,5H2,1H3,(H2,10,11,12,13).
What are the key properties of 3-methyl-N-(1H-pyrazol-5-yl)oxolane-2-carboxamide?
3-methyl-N-(1H-pyrazol-5-yl)oxolane-2-carboxamide has a molecular weight of 195.22 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1H-pyrazol-5-yl)oxolane-2-carboxamide is sourced from PubChem (CID 81448380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).