5-[1-(2-fluorophenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile

C14H15FN4 — CID 55258792

IUPAC5-[1-(2-fluorophenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(NC(C)c2ccccc2F)c1C#N
InChIInChI=1S/C14H15FN4/c1-9(11-6-4-5-7-13(11)15)17-14-12(8-16)10(2)18-19(14)3/h4-7,9,17H,1-3H3
InChIKeyLQDDLCZXARXNNU-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.91
Rot. Bonds3

About 5-[1-(2-fluorophenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile

5-[1-(2-fluorophenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile (PubChem CID 55258792) has the molecular formula C14H15FN4 and a molecular weight of 258.30 g/mol. Its IUPAC name is 5-[1-(2-fluorophenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[1-(2-fluorophenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
PubChem CID55258792
Molecular FormulaC14H15FN4
Molecular Weight258.30 g/mol
Exact Mass258.13
IUPAC Name5-[1-(2-fluorophenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(NC(C)c2ccccc2F)c1C#N
InChIInChI=1S/C14H15FN4/c1-9(11-6-4-5-7-13(11)15)17-14-12(8-16)10(2)18-19(14)3/h4-7,9,17H,1-3H3
InChIKeyLQDDLCZXARXNNU-UHFFFAOYSA-N
XLogP2.91
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-fluorophenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile?
The IUPAC name of 5-[1-(2-fluorophenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile (CID 55258792) is 5-[1-(2-fluorophenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-[1-(2-fluorophenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile?
The canonical SMILES for 5-[1-(2-fluorophenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile is Cc1nn(C)c(NC(C)c2ccccc2F)c1C#N.
What is the InChIKey of 5-[1-(2-fluorophenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile?
The InChIKey is LQDDLCZXARXNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4/c1-9(11-6-4-5-7-13(11)15)17-14-12(8-16)10(2)18-19(14)3/h4-7,9,17H,1-3H3.
What are the key properties of 5-[1-(2-fluorophenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile?
5-[1-(2-fluorophenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile has a molecular weight of 258.30 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-fluorophenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile is sourced from PubChem (CID 55258792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).