5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile

C12H16N6 — CID 106034545

IUPAC5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(NCc2cnn(C)c2C)c1C#N
InChIInChI=1S/C12H16N6/c1-8-11(5-13)12(18(4)16-8)14-6-10-7-15-17(3)9(10)2/h7,14H,6H2,1-4H3
InChIKeySWYOIEDDQVMUJL-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.25
Rot. Bonds3

About 5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile

5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile (PubChem CID 106034545) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is 5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile
PubChem CID106034545
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(NCc2cnn(C)c2C)c1C#N
InChIInChI=1S/C12H16N6/c1-8-11(5-13)12(18(4)16-8)14-6-10-7-15-17(3)9(10)2/h7,14H,6H2,1-4H3
InChIKeySWYOIEDDQVMUJL-UHFFFAOYSA-N
XLogP1.25
TPSA71.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile?
The IUPAC name of 5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile (CID 106034545) is 5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile?
The canonical SMILES for 5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile is Cc1nn(C)c(NCc2cnn(C)c2C)c1C#N.
What is the InChIKey of 5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile?
The InChIKey is SWYOIEDDQVMUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c1-8-11(5-13)12(18(4)16-8)14-6-10-7-15-17(3)9(10)2/h7,14H,6H2,1-4H3.
What are the key properties of 5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile?
5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile has a molecular weight of 244.30 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile is sourced from PubChem (CID 106034545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).