N-(4-cyano-1H-pyrazol-5-yl)-2,4,5-trimethyloxolane-3-carboxamide

C12H16N4O2 — CID 79504313

IUPACN-(4-cyano-1H-pyrazol-5-yl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)Nc2[nH]ncc2C#N)C1C
InChIInChI=1S/C12H16N4O2/c1-6-7(2)18-8(3)10(6)12(17)15-11-9(4-13)5-14-16-11/h5-8,10H,1-3H3,(H2,14,15,16,17)
InChIKeyZJFCRZAFOXFSBG-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.28
Rot. Bonds2

About N-(4-cyano-1H-pyrazol-5-yl)-2,4,5-trimethyloxolane-3-carboxamide

N-(4-cyano-1H-pyrazol-5-yl)-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 79504313) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-(4-cyano-1H-pyrazol-5-yl)-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1H-pyrazol-5-yl)-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID79504313
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-(4-cyano-1H-pyrazol-5-yl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)Nc2[nH]ncc2C#N)C1C
InChIInChI=1S/C12H16N4O2/c1-6-7(2)18-8(3)10(6)12(17)15-11-9(4-13)5-14-16-11/h5-8,10H,1-3H3,(H2,14,15,16,17)
InChIKeyZJFCRZAFOXFSBG-UHFFFAOYSA-N
XLogP1.28
TPSA90.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.28
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)-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-2,4,5-trimethyloxolane-3-carboxamide (CID 79504313) is N-(4-cyano-1H-pyrazol-5-yl)-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(4-cyano-1H-pyrazol-5-yl)-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-(4-cyano-1H-pyrazol-5-yl)-2,4,5-trimethyloxolane-3-carboxamide is CC1OC(C)C(C(=O)Nc2[nH]ncc2C#N)C1C.
What is the InChIKey of N-(4-cyano-1H-pyrazol-5-yl)-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is ZJFCRZAFOXFSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-6-7(2)18-8(3)10(6)12(17)15-11-9(4-13)5-14-16-11/h5-8,10H,1-3H3,(H2,14,15,16,17).
What are the key properties of N-(4-cyano-1H-pyrazol-5-yl)-2,4,5-trimethyloxolane-3-carboxamide?
N-(4-cyano-1H-pyrazol-5-yl)-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 1.28, 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)-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 79504313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).