3-[(1-methylpyrazol-3-yl)methyl]oxolane-3-carbonitrile

C10H13N3O — CID 82870785

IUPAC3-[(1-methylpyrazol-3-yl)methyl]oxolane-3-carbonitrile
SMILESCn1ccc(CC2(C#N)CCOC2)n1
InChIInChI=1S/C10H13N3O/c1-13-4-2-9(12-13)6-10(7-11)3-5-14-8-10/h2,4H,3,5-6,8H2,1H3
InChIKeyFFAJOVDDOBSQRP-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.89
Rot. Bonds2

About 3-[(1-methylpyrazol-3-yl)methyl]oxolane-3-carbonitrile

3-[(1-methylpyrazol-3-yl)methyl]oxolane-3-carbonitrile (PubChem CID 82870785) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-[(1-methylpyrazol-3-yl)methyl]oxolane-3-carbonitrile.

Molecular Properties

Compound Name3-[(1-methylpyrazol-3-yl)methyl]oxolane-3-carbonitrile
PubChem CID82870785
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3-[(1-methylpyrazol-3-yl)methyl]oxolane-3-carbonitrile
SMILESCn1ccc(CC2(C#N)CCOC2)n1
InChIInChI=1S/C10H13N3O/c1-13-4-2-9(12-13)6-10(7-11)3-5-14-8-10/h2,4H,3,5-6,8H2,1H3
InChIKeyFFAJOVDDOBSQRP-UHFFFAOYSA-N
XLogP0.89
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexane-1-carbonitrile
CID 82871115
4-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexane-1-carbonitrile
CID 82870674
1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile
CID 82871368
3-[(1-butan-2-ylpyrazol-3-yl)methyl]oxane-3-carbonitrile
CID 65395016
1-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 82871247
4-[(1-methyltriazol-4-yl)methyl]oxane-4-carbonitrile
CID 107057305
1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol
CID 82870094
3-[(4-fluoro-2-methylphenyl)methyl]oxolane-3-carbonitrile
CID 114349714
4-(chloromethyl)-N-[(1-methylpyrazol-3-yl)methyl]oxan-4-amine
CID 106299901
1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carbonitrile
CID 65377213
1-[(1-methylpyrazol-3-yl)methyl]cyclooctane-1-carboxylic acid
CID 82872075
[1-[(1-methylpyrazol-3-yl)methyl]cyclobutyl]methanamine
CID 82871669

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrazol-3-yl)methyl]oxolane-3-carbonitrile?
The IUPAC name of 3-[(1-methylpyrazol-3-yl)methyl]oxolane-3-carbonitrile (CID 82870785) is 3-[(1-methylpyrazol-3-yl)methyl]oxolane-3-carbonitrile.
What is the SMILES notation for 3-[(1-methylpyrazol-3-yl)methyl]oxolane-3-carbonitrile?
The canonical SMILES for 3-[(1-methylpyrazol-3-yl)methyl]oxolane-3-carbonitrile is Cn1ccc(CC2(C#N)CCOC2)n1.
What is the InChIKey of 3-[(1-methylpyrazol-3-yl)methyl]oxolane-3-carbonitrile?
The InChIKey is FFAJOVDDOBSQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-13-4-2-9(12-13)6-10(7-11)3-5-14-8-10/h2,4H,3,5-6,8H2,1H3.
What are the key properties of 3-[(1-methylpyrazol-3-yl)methyl]oxolane-3-carbonitrile?
3-[(1-methylpyrazol-3-yl)methyl]oxolane-3-carbonitrile has a molecular weight of 191.23 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrazol-3-yl)methyl]oxolane-3-carbonitrile is sourced from PubChem (CID 82870785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).