4-(4-amino-3-ethyl-1-methylpyrazol-5-yl)oxy-3-fluorobenzonitrile

C13H13FN4O — CID 107670120

IUPAC4-(4-amino-3-ethyl-1-methylpyrazol-5-yl)oxy-3-fluorobenzonitrile
SMILESCCc1nn(C)c(Oc2ccc(C#N)cc2F)c1N
InChIInChI=1S/C13H13FN4O/c1-3-10-12(16)13(18(2)17-10)19-11-5-4-8(7-15)6-9(11)14/h4-6H,3,16H2,1-2H3
InChIKeySQEHYQLMSPSOOL-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.37
Rot. Bonds3

About 4-(4-amino-3-ethyl-1-methylpyrazol-5-yl)oxy-3-fluorobenzonitrile

4-(4-amino-3-ethyl-1-methylpyrazol-5-yl)oxy-3-fluorobenzonitrile (PubChem CID 107670120) has the molecular formula C13H13FN4O and a molecular weight of 260.27 g/mol. Its IUPAC name is 4-(4-amino-3-ethyl-1-methylpyrazol-5-yl)oxy-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-(4-amino-3-ethyl-1-methylpyrazol-5-yl)oxy-3-fluorobenzonitrile
PubChem CID107670120
Molecular FormulaC13H13FN4O
Molecular Weight260.27 g/mol
Exact Mass260.11
IUPAC Name4-(4-amino-3-ethyl-1-methylpyrazol-5-yl)oxy-3-fluorobenzonitrile
SMILESCCc1nn(C)c(Oc2ccc(C#N)cc2F)c1N
InChIInChI=1S/C13H13FN4O/c1-3-10-12(16)13(18(2)17-10)19-11-5-4-8(7-15)6-9(11)14/h4-6H,3,16H2,1-2H3
InChIKeySQEHYQLMSPSOOL-UHFFFAOYSA-N
XLogP2.37
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-chloro-4-fluorophenoxy)-3-ethyl-1-methylpyrazol-4-amine
CID 66014073
3-ethyl-5-(4-ethyl-2-methoxyphenoxy)-1-methylpyrazol-4-amine
CID 107663815
5-(4-bromo-3-fluorophenoxy)-3-ethyl-1-methylpyrazol-4-amine
CID 66016663
5-(2-chlorophenoxy)-3-ethyl-1-methylpyrazol-4-amine
CID 66015459
3-ethyl-1-methyl-5-naphthalen-1-yloxypyrazol-4-amine
CID 66014063
5-(4-amino-2-fluorophenoxy)-1,3-dimethylpyrazole-4-carbonitrile
CID 63758546
5-(2,5-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine
CID 66017374
4-(2-amino-3-methylphenoxy)-3-fluorobenzonitrile
CID 43657243
4-(4-amino-2,6-difluorophenoxy)-3-fluorobenzonitrile
CID 107670079
4-[(5-amino-6-ethoxy-2-pyridinyl)oxy]-3-fluorobenzonitrile
CID 107670102
4-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-3-bromobenzonitrile
CID 107787194
5-(2,3-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine
CID 66017182

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-ethyl-1-methylpyrazol-5-yl)oxy-3-fluorobenzonitrile?
The IUPAC name of 4-(4-amino-3-ethyl-1-methylpyrazol-5-yl)oxy-3-fluorobenzonitrile (CID 107670120) is 4-(4-amino-3-ethyl-1-methylpyrazol-5-yl)oxy-3-fluorobenzonitrile.
What is the SMILES notation for 4-(4-amino-3-ethyl-1-methylpyrazol-5-yl)oxy-3-fluorobenzonitrile?
The canonical SMILES for 4-(4-amino-3-ethyl-1-methylpyrazol-5-yl)oxy-3-fluorobenzonitrile is CCc1nn(C)c(Oc2ccc(C#N)cc2F)c1N.
What is the InChIKey of 4-(4-amino-3-ethyl-1-methylpyrazol-5-yl)oxy-3-fluorobenzonitrile?
The InChIKey is SQEHYQLMSPSOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O/c1-3-10-12(16)13(18(2)17-10)19-11-5-4-8(7-15)6-9(11)14/h4-6H,3,16H2,1-2H3.
What are the key properties of 4-(4-amino-3-ethyl-1-methylpyrazol-5-yl)oxy-3-fluorobenzonitrile?
4-(4-amino-3-ethyl-1-methylpyrazol-5-yl)oxy-3-fluorobenzonitrile has a molecular weight of 260.27 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-ethyl-1-methylpyrazol-5-yl)oxy-3-fluorobenzonitrile is sourced from PubChem (CID 107670120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).