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

C7H11ClN4 — CID 138106110

IUPAC1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile;hydrochloride
SMILESCNCc1cc(C#N)n(C)n1.Cl
InChIInChI=1S/C7H10N4.ClH/c1-9-5-6-3-7(4-8)11(2)10-6;/h3,9H,5H2,1-2H3;1H
InChIKeyHJPCRCYMQZBXDN-UHFFFAOYSA-N
MW186.65 g/mol
LogP0.43
Rot. Bonds2

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

1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile;hydrochloride (PubChem CID 138106110) has the molecular formula C7H11ClN4 and a molecular weight of 186.65 g/mol. Its IUPAC name is 1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile;hydrochloride.

Molecular Properties

Compound Name1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile;hydrochloride
PubChem CID138106110
Molecular FormulaC7H11ClN4
Molecular Weight186.65 g/mol
Exact Mass186.07
IUPAC Name1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile;hydrochloride
SMILESCNCc1cc(C#N)n(C)n1.Cl
InChIInChI=1S/C7H10N4.ClH/c1-9-5-6-3-7(4-8)11(2)10-6;/h3,9H,5H2,1-2H3;1H
InChIKeyHJPCRCYMQZBXDN-UHFFFAOYSA-N
XLogP0.43
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.65
LogP ≤ 50.43
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;hydrochloride?
The IUPAC name of 1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile;hydrochloride (CID 138106110) is 1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile;hydrochloride.
What is the SMILES notation for 1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile;hydrochloride?
The canonical SMILES for 1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile;hydrochloride is CNCc1cc(C#N)n(C)n1.Cl.
What is the InChIKey of 1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile;hydrochloride?
The InChIKey is HJPCRCYMQZBXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4.ClH/c1-9-5-6-3-7(4-8)11(2)10-6;/h3,9H,5H2,1-2H3;1H.
What are the key properties of 1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile;hydrochloride?
1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile;hydrochloride has a molecular weight of 186.65 g/mol, XLogP of 0.43, 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;hydrochloride is sourced from PubChem (CID 138106110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).