5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-dimethylpyrazole-4-carbonitrile

C12H16N6O — CID 63758890

IUPAC5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCOCCn1cc(Nc2c(C#N)c(C)nn2C)cn1
InChIInChI=1S/C12H16N6O/c1-9-11(6-13)12(17(2)16-9)15-10-7-14-18(8-10)4-5-19-3/h7-8,15H,4-5H2,1-3H3
InChIKeyDKBDPOCJAWOZFM-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.19
Rot. Bonds5

About 5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-dimethylpyrazole-4-carbonitrile

5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-dimethylpyrazole-4-carbonitrile (PubChem CID 63758890) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-dimethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-dimethylpyrazole-4-carbonitrile
PubChem CID63758890
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCOCCn1cc(Nc2c(C#N)c(C)nn2C)cn1
InChIInChI=1S/C12H16N6O/c1-9-11(6-13)12(17(2)16-9)15-10-7-14-18(8-10)4-5-19-3/h7-8,15H,4-5H2,1-3H3
InChIKeyDKBDPOCJAWOZFM-UHFFFAOYSA-N
XLogP1.19
TPSA80.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-dimethylpyrazole-4-carbonitrile?
The IUPAC name of 5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-dimethylpyrazole-4-carbonitrile (CID 63758890) is 5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-dimethylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-dimethylpyrazole-4-carbonitrile?
The canonical SMILES for 5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-dimethylpyrazole-4-carbonitrile is COCCn1cc(Nc2c(C#N)c(C)nn2C)cn1.
What is the InChIKey of 5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-dimethylpyrazole-4-carbonitrile?
The InChIKey is DKBDPOCJAWOZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-9-11(6-13)12(17(2)16-9)15-10-7-14-18(8-10)4-5-19-3/h7-8,15H,4-5H2,1-3H3.
What are the key properties of 5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-dimethylpyrazole-4-carbonitrile?
5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-dimethylpyrazole-4-carbonitrile has a molecular weight of 260.30 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-dimethylpyrazole-4-carbonitrile is sourced from PubChem (CID 63758890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).