5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile

C10H14F2N4O — CID 107479584

IUPAC5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(N(CCO)CC(F)F)c1C#N
InChIInChI=1S/C10H14F2N4O/c1-7-8(5-13)10(15(2)14-7)16(3-4-17)6-9(11)12/h9,17H,3-4,6H2,1-2H3
InChIKeyNNINNCCPJVBFMO-UHFFFAOYSA-N
MW244.24 g/mol
LogP0.66
Rot. Bonds5

About 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile

5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile (PubChem CID 107479584) has the molecular formula C10H14F2N4O and a molecular weight of 244.24 g/mol. Its IUPAC name is 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
PubChem CID107479584
Molecular FormulaC10H14F2N4O
Molecular Weight244.24 g/mol
Exact Mass244.11
IUPAC Name5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(N(CCO)CC(F)F)c1C#N
InChIInChI=1S/C10H14F2N4O/c1-7-8(5-13)10(15(2)14-7)16(3-4-17)6-9(11)12/h9,17H,3-4,6H2,1-2H3
InChIKeyNNINNCCPJVBFMO-UHFFFAOYSA-N
XLogP0.66
TPSA65.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
The IUPAC name of 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile (CID 107479584) is 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
The canonical SMILES for 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile is Cc1nn(C)c(N(CCO)CC(F)F)c1C#N.
What is the InChIKey of 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
The InChIKey is NNINNCCPJVBFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4O/c1-7-8(5-13)10(15(2)14-7)16(3-4-17)6-9(11)12/h9,17H,3-4,6H2,1-2H3.
What are the key properties of 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile has a molecular weight of 244.24 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile is sourced from PubChem (CID 107479584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).