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

C10H12N4O2 — CID 79759722

IUPACN-(4-cyano-1H-pyrazol-5-yl)-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)Nc1[nH]ncc1C#N
InChIInChI=1S/C10H12N4O2/c1-6-8(2-3-16-6)10(15)13-9-7(4-11)5-12-14-9/h5-6,8H,2-3H2,1H3,(H2,12,13,14,15)
InChIKeyTWJRYKUOTMGTTO-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.64
Rot. Bonds2

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

N-(4-cyano-1H-pyrazol-5-yl)-2-methyloxolane-3-carboxamide (PubChem CID 79759722) 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)-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1H-pyrazol-5-yl)-2-methyloxolane-3-carboxamide
PubChem CID79759722
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC NameN-(4-cyano-1H-pyrazol-5-yl)-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)Nc1[nH]ncc1C#N
InChIInChI=1S/C10H12N4O2/c1-6-8(2-3-16-6)10(15)13-9-7(4-11)5-12-14-9/h5-6,8H,2-3H2,1H3,(H2,12,13,14,15)
InChIKeyTWJRYKUOTMGTTO-UHFFFAOYSA-N
XLogP0.64
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 ≤ 50.64
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-methyloxolane-3-carboxamide?
The IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-2-methyloxolane-3-carboxamide (CID 79759722) is N-(4-cyano-1H-pyrazol-5-yl)-2-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(4-cyano-1H-pyrazol-5-yl)-2-methyloxolane-3-carboxamide?
The canonical SMILES for N-(4-cyano-1H-pyrazol-5-yl)-2-methyloxolane-3-carboxamide is CC1OCCC1C(=O)Nc1[nH]ncc1C#N.
What is the InChIKey of N-(4-cyano-1H-pyrazol-5-yl)-2-methyloxolane-3-carboxamide?
The InChIKey is TWJRYKUOTMGTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-6-8(2-3-16-6)10(15)13-9-7(4-11)5-12-14-9/h5-6,8H,2-3H2,1H3,(H2,12,13,14,15).
What are the key properties of N-(4-cyano-1H-pyrazol-5-yl)-2-methyloxolane-3-carboxamide?
N-(4-cyano-1H-pyrazol-5-yl)-2-methyloxolane-3-carboxamide has a molecular weight of 220.23 g/mol, XLogP of 0.64, 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-methyloxolane-3-carboxamide is sourced from PubChem (CID 79759722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).