1-(2-methoxyethyl)-4-methylpyrazole-5-carbonitrile

C8H11N3O — CID 90147920

IUPAC1-(2-methoxyethyl)-4-methylpyrazole-5-carbonitrile
SMILESCOCCn1ncc(C)c1C#N
InChIInChI=1S/C8H11N3O/c1-7-6-10-11(3-4-12-2)8(7)5-9/h6H,3-4H2,1-2H3
InChIKeyRPTPZEALNACQCT-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.71
Rot. Bonds3

About 1-(2-methoxyethyl)-4-methylpyrazole-5-carbonitrile

1-(2-methoxyethyl)-4-methylpyrazole-5-carbonitrile (PubChem CID 90147920) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-methylpyrazole-5-carbonitrile.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-methylpyrazole-5-carbonitrile
PubChem CID90147920
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name1-(2-methoxyethyl)-4-methylpyrazole-5-carbonitrile
SMILESCOCCn1ncc(C)c1C#N
InChIInChI=1S/C8H11N3O/c1-7-6-10-11(3-4-12-2)8(7)5-9/h6H,3-4H2,1-2H3
InChIKeyRPTPZEALNACQCT-UHFFFAOYSA-N
XLogP0.71
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxyethyl)-3-methyl-1H-pyrazole-4-carbonitrile
CID 130636316
1,5-dimethyl-1H-pyrazole-4-carbonitrile
CID 4913196
1,3-dimethyl-1H-pyrazole-4-carbonitrile
CID 19620695
2-(4,5-Dimethylpyrazol-1-yl)ethanol
CID 58514590
N-[(1-allyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-ethoxyethanamine
CID 46986896
1-(methoxymethyl)-N-methyl-N-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]cyclopropanamine
CID 77094245
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpropoxy)ethanamine
CID 119051602
2-[4-Methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 58514586
2-[4-Methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 58514749
2-[4-(Aminomethyl)-3-methyl-1H-pyrazol-1-YL]ethan-1-OL
CID 82651857
1-(2-Methoxyethyl)-4-methyl-3-(trifluoromethyl)pyrazole
CID 89969662
4-[[1-Methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine
CID 90167966

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-methylpyrazole-5-carbonitrile?
The IUPAC name of 1-(2-methoxyethyl)-4-methylpyrazole-5-carbonitrile (CID 90147920) is 1-(2-methoxyethyl)-4-methylpyrazole-5-carbonitrile.
What is the SMILES notation for 1-(2-methoxyethyl)-4-methylpyrazole-5-carbonitrile?
The canonical SMILES for 1-(2-methoxyethyl)-4-methylpyrazole-5-carbonitrile is COCCn1ncc(C)c1C#N.
What is the InChIKey of 1-(2-methoxyethyl)-4-methylpyrazole-5-carbonitrile?
The InChIKey is RPTPZEALNACQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-7-6-10-11(3-4-12-2)8(7)5-9/h6H,3-4H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-4-methylpyrazole-5-carbonitrile?
1-(2-methoxyethyl)-4-methylpyrazole-5-carbonitrile has a molecular weight of 165.20 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-methylpyrazole-5-carbonitrile is sourced from PubChem (CID 90147920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).