5-(oxolan-3-yl)-1H-pyrazole-4-carbonitrile

C8H9N3O — CID 82415145

IUPAC5-(oxolan-3-yl)-1H-pyrazole-4-carbonitrile
SMILESN#Cc1cn[nH]c1C1CCOC1
InChIInChI=1S/C8H9N3O/c9-3-7-4-10-11-8(7)6-1-2-12-5-6/h4,6H,1-2,5H2,(H,10,11)
InChIKeyXEDALJZJULSANR-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.79
Rot. Bonds1

About 5-(oxolan-3-yl)-1H-pyrazole-4-carbonitrile

5-(oxolan-3-yl)-1H-pyrazole-4-carbonitrile (PubChem CID 82415145) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 5-(oxolan-3-yl)-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-(oxolan-3-yl)-1H-pyrazole-4-carbonitrile
PubChem CID82415145
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name5-(oxolan-3-yl)-1H-pyrazole-4-carbonitrile
SMILESN#Cc1cn[nH]c1C1CCOC1
InChIInChI=1S/C8H9N3O/c9-3-7-4-10-11-8(7)6-1-2-12-5-6/h4,6H,1-2,5H2,(H,10,11)
InChIKeyXEDALJZJULSANR-UHFFFAOYSA-N
XLogP0.79
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-ethyl-5-(2-methoxyethyl)-1H-pyrazole
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5-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole-4-carbonitrile
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5-(2-amino-2-methoxyethyl)-1H-pyrazole-4-carbonitrile
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4-Methyl-3-(tetrahydro-3-furanyl)-1H-pyrazole
CID 90029563
3-(2-Methoxyethyl)-4-methyl-1H-pyrazole
CID 90030140
5-(2-methoxyethyl)-4-propan-2-yl-1H-pyrazole
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5-(oxolan-3-yl)-1H-pyrazole
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5-(Oxolan-3-yl)-1h-pyrazol-4-amine
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Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-3-yl)-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-(oxolan-3-yl)-1H-pyrazole-4-carbonitrile (CID 82415145) is 5-(oxolan-3-yl)-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-(oxolan-3-yl)-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-(oxolan-3-yl)-1H-pyrazole-4-carbonitrile is N#Cc1cn[nH]c1C1CCOC1.
What is the InChIKey of 5-(oxolan-3-yl)-1H-pyrazole-4-carbonitrile?
The InChIKey is XEDALJZJULSANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c9-3-7-4-10-11-8(7)6-1-2-12-5-6/h4,6H,1-2,5H2,(H,10,11).
What are the key properties of 5-(oxolan-3-yl)-1H-pyrazole-4-carbonitrile?
5-(oxolan-3-yl)-1H-pyrazole-4-carbonitrile has a molecular weight of 163.18 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-3-yl)-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 82415145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).