2-[cyanomethyl-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]amino]acetonitrile

C11H16N6 — CID 62182873

IUPAC2-[cyanomethyl-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]amino]acetonitrile
SMILESCNc1c(CN(CC#N)CC#N)c(C)nn1C
InChIInChI=1S/C11H16N6/c1-9-10(11(14-2)16(3)15-9)8-17(6-4-12)7-5-13/h14H,6-8H2,1-3H3
InChIKeySWOWWILUAZPQFH-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.62
Rot. Bonds5

About 2-[cyanomethyl-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]amino]acetonitrile

2-[cyanomethyl-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]amino]acetonitrile (PubChem CID 62182873) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-[cyanomethyl-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]amino]acetonitrile.

Molecular Properties

Compound Name2-[cyanomethyl-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]amino]acetonitrile
PubChem CID62182873
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name2-[cyanomethyl-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]amino]acetonitrile
SMILESCNc1c(CN(CC#N)CC#N)c(C)nn1C
InChIInChI=1S/C11H16N6/c1-9-10(11(14-2)16(3)15-9)8-17(6-4-12)7-5-13/h14H,6-8H2,1-3H3
InChIKeySWOWWILUAZPQFH-UHFFFAOYSA-N
XLogP0.62
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N,1,3-trimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine
CID 62189145
4-[[cyclohexyl(ethyl)amino]methyl]-N,1,3-trimethylpyrazol-5-amine
CID 55046155
4-[[furan-3-ylmethyl(methyl)amino]methyl]-N,1,3-trimethylpyrazol-5-amine
CID 62207198
N,1,3-trimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyrazol-5-amine
CID 55046472
N,1,3-trimethyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyrazol-5-amine
CID 62195408
4-(diethylaminomethyl)-1,3-dimethylpyrazol-5-amine
CID 62178598
N,1,3-trimethyl-4-(pyrimidin-2-ylsulfanylmethyl)pyrazol-5-amine
CID 62189467
N-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbutan-2-amine
CID 62245689
1,3-dimethyl-5-[2-(methylamino)ethylamino]pyrazole-4-carbonitrile
CID 63758903
5-(ethylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63757322
N-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbutan-1-amine
CID 62245540
1-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]pyridin-2-one
CID 62208487

Frequently Asked Questions

What is the IUPAC name of 2-[cyanomethyl-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]amino]acetonitrile?
The IUPAC name of 2-[cyanomethyl-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]amino]acetonitrile (CID 62182873) is 2-[cyanomethyl-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]amino]acetonitrile.
What is the SMILES notation for 2-[cyanomethyl-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]amino]acetonitrile?
The canonical SMILES for 2-[cyanomethyl-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]amino]acetonitrile is CNc1c(CN(CC#N)CC#N)c(C)nn1C.
What is the InChIKey of 2-[cyanomethyl-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]amino]acetonitrile?
The InChIKey is SWOWWILUAZPQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-9-10(11(14-2)16(3)15-9)8-17(6-4-12)7-5-13/h14H,6-8H2,1-3H3.
What are the key properties of 2-[cyanomethyl-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]amino]acetonitrile?
2-[cyanomethyl-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]amino]acetonitrile has a molecular weight of 232.29 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyanomethyl-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]amino]acetonitrile is sourced from PubChem (CID 62182873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).