N-(4-cyano-1-methylpyrazol-3-yl)oxolane-2-carboxamide

C10H12N4O2 — CID 112696239

IUPACN-(4-cyano-1-methylpyrazol-3-yl)oxolane-2-carboxamide
SMILESCn1cc(C#N)c(NC(=O)C2CCCO2)n1
InChIInChI=1S/C10H12N4O2/c1-14-6-7(5-11)9(13-14)12-10(15)8-3-2-4-16-8/h6,8H,2-4H2,1H3,(H,12,13,15)
InChIKeyDGZURBFHSBTFBM-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.41
Rot. Bonds2

About N-(4-cyano-1-methylpyrazol-3-yl)oxolane-2-carboxamide

N-(4-cyano-1-methylpyrazol-3-yl)oxolane-2-carboxamide (PubChem CID 112696239) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-3-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-3-yl)oxolane-2-carboxamide
PubChem CID112696239
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC NameN-(4-cyano-1-methylpyrazol-3-yl)oxolane-2-carboxamide
SMILESCn1cc(C#N)c(NC(=O)C2CCCO2)n1
InChIInChI=1S/C10H12N4O2/c1-14-6-7(5-11)9(13-14)12-10(15)8-3-2-4-16-8/h6,8H,2-4H2,1H3,(H,12,13,15)
InChIKeyDGZURBFHSBTFBM-UHFFFAOYSA-N
XLogP0.41
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-3-yl)oxolane-2-carboxamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-3-yl)oxolane-2-carboxamide (CID 112696239) is N-(4-cyano-1-methylpyrazol-3-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-3-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-3-yl)oxolane-2-carboxamide is Cn1cc(C#N)c(NC(=O)C2CCCO2)n1.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-3-yl)oxolane-2-carboxamide?
The InChIKey is DGZURBFHSBTFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-14-6-7(5-11)9(13-14)12-10(15)8-3-2-4-16-8/h6,8H,2-4H2,1H3,(H,12,13,15).
What are the key properties of N-(4-cyano-1-methylpyrazol-3-yl)oxolane-2-carboxamide?
N-(4-cyano-1-methylpyrazol-3-yl)oxolane-2-carboxamide has a molecular weight of 220.23 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-3-yl)oxolane-2-carboxamide is sourced from PubChem (CID 112696239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).