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

C9H13N3O2 — CID 79759186

IUPAC2-methyl-N-(1H-pyrazol-5-yl)oxolane-3-carboxamide
SMILESCC1OCCC1C(=O)Nc1ccn[nH]1
InChIInChI=1S/C9H13N3O2/c1-6-7(3-5-14-6)9(13)11-8-2-4-10-12-8/h2,4,6-7H,3,5H2,1H3,(H2,10,11,12,13)
InChIKeyHMXFMBYRTCJMME-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.77
Rot. Bonds2

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

2-methyl-N-(1H-pyrazol-5-yl)oxolane-3-carboxamide (PubChem CID 79759186) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-methyl-N-(1H-pyrazol-5-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1H-pyrazol-5-yl)oxolane-3-carboxamide
PubChem CID79759186
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-methyl-N-(1H-pyrazol-5-yl)oxolane-3-carboxamide
SMILESCC1OCCC1C(=O)Nc1ccn[nH]1
InChIInChI=1S/C9H13N3O2/c1-6-7(3-5-14-6)9(13)11-8-2-4-10-12-8/h2,4,6-7H,3,5H2,1H3,(H2,10,11,12,13)
InChIKeyHMXFMBYRTCJMME-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 2-methyl-N-(1H-pyrazol-5-yl)oxolane-3-carboxamide?
The IUPAC name of 2-methyl-N-(1H-pyrazol-5-yl)oxolane-3-carboxamide (CID 79759186) is 2-methyl-N-(1H-pyrazol-5-yl)oxolane-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(1H-pyrazol-5-yl)oxolane-3-carboxamide?
The canonical SMILES for 2-methyl-N-(1H-pyrazol-5-yl)oxolane-3-carboxamide is CC1OCCC1C(=O)Nc1ccn[nH]1.
What is the InChIKey of 2-methyl-N-(1H-pyrazol-5-yl)oxolane-3-carboxamide?
The InChIKey is HMXFMBYRTCJMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6-7(3-5-14-6)9(13)11-8-2-4-10-12-8/h2,4,6-7H,3,5H2,1H3,(H2,10,11,12,13).
What are the key properties of 2-methyl-N-(1H-pyrazol-5-yl)oxolane-3-carboxamide?
2-methyl-N-(1H-pyrazol-5-yl)oxolane-3-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 2-methyl-N-(1H-pyrazol-5-yl)oxolane-3-carboxamide is sourced from PubChem (CID 79759186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).