N-(4-cyano-1H-pyrazol-5-yl)oxane-2-carboxamide

C10H12N4O2 — CID 79503180

IUPACN-(4-cyano-1H-pyrazol-5-yl)oxane-2-carboxamide
SMILESN#Cc1cn[nH]c1NC(=O)C1CCCCO1
InChIInChI=1S/C10H12N4O2/c11-5-7-6-12-14-9(7)13-10(15)8-3-1-2-4-16-8/h6,8H,1-4H2,(H2,12,13,14,15)
InChIKeyIQWUTADJCRIIMH-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.79
Rot. Bonds2

About N-(4-cyano-1H-pyrazol-5-yl)oxane-2-carboxamide

N-(4-cyano-1H-pyrazol-5-yl)oxane-2-carboxamide (PubChem CID 79503180) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-(4-cyano-1H-pyrazol-5-yl)oxane-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1H-pyrazol-5-yl)oxane-2-carboxamide
PubChem CID79503180
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC NameN-(4-cyano-1H-pyrazol-5-yl)oxane-2-carboxamide
SMILESN#Cc1cn[nH]c1NC(=O)C1CCCCO1
InChIInChI=1S/C10H12N4O2/c11-5-7-6-12-14-9(7)13-10(15)8-3-1-2-4-16-8/h6,8H,1-4H2,(H2,12,13,14,15)
InChIKeyIQWUTADJCRIIMH-UHFFFAOYSA-N
XLogP0.79
TPSA90.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)oxane-2-carboxamide?
The IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)oxane-2-carboxamide (CID 79503180) is N-(4-cyano-1H-pyrazol-5-yl)oxane-2-carboxamide.
What is the SMILES notation for N-(4-cyano-1H-pyrazol-5-yl)oxane-2-carboxamide?
The canonical SMILES for N-(4-cyano-1H-pyrazol-5-yl)oxane-2-carboxamide is N#Cc1cn[nH]c1NC(=O)C1CCCCO1.
What is the InChIKey of N-(4-cyano-1H-pyrazol-5-yl)oxane-2-carboxamide?
The InChIKey is IQWUTADJCRIIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c11-5-7-6-12-14-9(7)13-10(15)8-3-1-2-4-16-8/h6,8H,1-4H2,(H2,12,13,14,15).
What are the key properties of N-(4-cyano-1H-pyrazol-5-yl)oxane-2-carboxamide?
N-(4-cyano-1H-pyrazol-5-yl)oxane-2-carboxamide has a molecular weight of 220.23 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1H-pyrazol-5-yl)oxane-2-carboxamide is sourced from PubChem (CID 79503180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).