N-[1-(cyanomethyl)pyrazol-3-yl]oxolane-2-carboxamide

C10H12N4O2 — CID 110281555

IUPACN-[1-(cyanomethyl)pyrazol-3-yl]oxolane-2-carboxamide
SMILESN#CCn1ccc(NC(=O)C2CCCO2)n1
InChIInChI=1S/C10H12N4O2/c11-4-6-14-5-3-9(13-14)12-10(15)8-2-1-7-16-8/h3,5,8H,1-2,6-7H2,(H,12,13,15)
InChIKeyLWGGAVRVAITDGK-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.52
Rot. Bonds3

About N-[1-(cyanomethyl)pyrazol-3-yl]oxolane-2-carboxamide

N-[1-(cyanomethyl)pyrazol-3-yl]oxolane-2-carboxamide (PubChem CID 110281555) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-[1-(cyanomethyl)pyrazol-3-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyanomethyl)pyrazol-3-yl]oxolane-2-carboxamide
PubChem CID110281555
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC NameN-[1-(cyanomethyl)pyrazol-3-yl]oxolane-2-carboxamide
SMILESN#CCn1ccc(NC(=O)C2CCCO2)n1
InChIInChI=1S/C10H12N4O2/c11-4-6-14-5-3-9(13-14)12-10(15)8-2-1-7-16-8/h3,5,8H,1-2,6-7H2,(H,12,13,15)
InChIKeyLWGGAVRVAITDGK-UHFFFAOYSA-N
XLogP0.52
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyanomethyl)pyrazol-3-yl]oxolane-2-carboxamide?
The IUPAC name of N-[1-(cyanomethyl)pyrazol-3-yl]oxolane-2-carboxamide (CID 110281555) is N-[1-(cyanomethyl)pyrazol-3-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[1-(cyanomethyl)pyrazol-3-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[1-(cyanomethyl)pyrazol-3-yl]oxolane-2-carboxamide is N#CCn1ccc(NC(=O)C2CCCO2)n1.
What is the InChIKey of N-[1-(cyanomethyl)pyrazol-3-yl]oxolane-2-carboxamide?
The InChIKey is LWGGAVRVAITDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c11-4-6-14-5-3-9(13-14)12-10(15)8-2-1-7-16-8/h3,5,8H,1-2,6-7H2,(H,12,13,15).
What are the key properties of N-[1-(cyanomethyl)pyrazol-3-yl]oxolane-2-carboxamide?
N-[1-(cyanomethyl)pyrazol-3-yl]oxolane-2-carboxamide has a molecular weight of 220.23 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyanomethyl)pyrazol-3-yl]oxolane-2-carboxamide is sourced from PubChem (CID 110281555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).