3-methoxy-1-methylpyrazole-4-carbonitrile

C6H7N3O — CID 82651116

IUPAC3-methoxy-1-methylpyrazole-4-carbonitrile
SMILESCOc1nn(C)cc1C#N
InChIInChI=1S/C6H7N3O/c1-9-4-5(3-7)6(8-9)10-2/h4H,1-2H3
InChIKeyBQEPKVGRUYBUKN-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.30
Rot. Bonds1

About 3-methoxy-1-methylpyrazole-4-carbonitrile

3-methoxy-1-methylpyrazole-4-carbonitrile (PubChem CID 82651116) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is 3-methoxy-1-methylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-methoxy-1-methylpyrazole-4-carbonitrile
PubChem CID82651116
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Name3-methoxy-1-methylpyrazole-4-carbonitrile
SMILESCOc1nn(C)cc1C#N
InChIInChI=1S/C6H7N3O/c1-9-4-5(3-7)6(8-9)10-2/h4H,1-2H3
InChIKeyBQEPKVGRUYBUKN-UHFFFAOYSA-N
XLogP0.30
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxy-1-methyl-1H-pyrazol-4-yl)methanol
CID 11622348
5-methoxy-1-methyl-1H-pyrazole-4-carbonitrile
CID 12100054
4-Bromo-5-methoxy-1-methyl-1H-pyrazole
CID 13131235
3-Methoxy-1-methyl-1H-pyrazole
CID 18622370
4-bromo-3-methoxy-1-methyl-1H-pyrazole
CID 67003909
(3-methoxy-1-methyl-1H-pyrazol-4-yl)methanamine
CID 82594285
4-Iodo-3-methoxy-1-methyl-1H-pyrazole
CID 134540668
4-iodo-5-methoxy-1-methyl-1H-pyrazole
CID 135235808
3-(Difluoromethoxy)-1,4-dimethylpyrazole
CID 59340904
5-(Difluoromethoxy)-1,4-dimethylpyrazole
CID 91531384
5-Fluoro-3-methoxy-1-methylpyrazole-4-carbonitrile
CID 130286638
3-(1,1,2,2,3,3-Hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazole
CID 135352504

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methylpyrazole-4-carbonitrile?
The IUPAC name of 3-methoxy-1-methylpyrazole-4-carbonitrile (CID 82651116) is 3-methoxy-1-methylpyrazole-4-carbonitrile.
What is the SMILES notation for 3-methoxy-1-methylpyrazole-4-carbonitrile?
The canonical SMILES for 3-methoxy-1-methylpyrazole-4-carbonitrile is COc1nn(C)cc1C#N.
What is the InChIKey of 3-methoxy-1-methylpyrazole-4-carbonitrile?
The InChIKey is BQEPKVGRUYBUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O/c1-9-4-5(3-7)6(8-9)10-2/h4H,1-2H3.
What are the key properties of 3-methoxy-1-methylpyrazole-4-carbonitrile?
3-methoxy-1-methylpyrazole-4-carbonitrile has a molecular weight of 137.14 g/mol, XLogP of 0.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methylpyrazole-4-carbonitrile is sourced from PubChem (CID 82651116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).