1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile

C7H10N4 — CID 86697000

IUPAC1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile
SMILESCNCc1cc(C#N)n(C)n1
InChIInChI=1S/C7H10N4/c1-9-5-6-3-7(4-8)11(2)10-6/h3,9H,5H2,1-2H3
InChIKeyHPMMSQUICAYILZ-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.01
Rot. Bonds2

About 1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile

1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile (PubChem CID 86697000) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile.

Molecular Properties

Compound Name1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile
PubChem CID86697000
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC Name1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile
SMILESCNCc1cc(C#N)n(C)n1
InChIInChI=1S/C7H10N4/c1-9-5-6-3-7(4-8)11(2)10-6/h3,9H,5H2,1-2H3
InChIKeyHPMMSQUICAYILZ-UHFFFAOYSA-N
XLogP0.01
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile?
The IUPAC name of 1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile (CID 86697000) is 1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile.
What is the SMILES notation for 1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile?
The canonical SMILES for 1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile is CNCc1cc(C#N)n(C)n1.
What is the InChIKey of 1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile?
The InChIKey is HPMMSQUICAYILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4/c1-9-5-6-3-7(4-8)11(2)10-6/h3,9H,5H2,1-2H3.
What are the key properties of 1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile?
1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile has a molecular weight of 150.18 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile is sourced from PubChem (CID 86697000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).