5-amino-3-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)pyrazole-4-carbonitrile

C14H15FN4O2 — CID 100763957

IUPAC5-amino-3-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)pyrazole-4-carbonitrile
SMILESCOCCn1nc(OCc2ccc(F)cc2)c(C#N)c1N
InChIInChI=1S/C14H15FN4O2/c1-20-7-6-19-13(17)12(8-16)14(18-19)21-9-10-2-4-11(15)5-3-10/h2-5H,6-7,9,17H2,1H3
InChIKeyFCWBTBVHZWPMJS-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.70
Rot. Bonds6

About 5-amino-3-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)pyrazole-4-carbonitrile

5-amino-3-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)pyrazole-4-carbonitrile (PubChem CID 100763957) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 5-amino-3-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)pyrazole-4-carbonitrile
PubChem CID100763957
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name5-amino-3-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)pyrazole-4-carbonitrile
SMILESCOCCn1nc(OCc2ccc(F)cc2)c(C#N)c1N
InChIInChI=1S/C14H15FN4O2/c1-20-7-6-19-13(17)12(8-16)14(18-19)21-9-10-2-4-11(15)5-3-10/h2-5H,6-7,9,17H2,1H3
InChIKeyFCWBTBVHZWPMJS-UHFFFAOYSA-N
XLogP1.70
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)pyrazole-4-carbonitrile (CID 100763957) is 5-amino-3-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)pyrazole-4-carbonitrile is COCCn1nc(OCc2ccc(F)cc2)c(C#N)c1N.
What is the InChIKey of 5-amino-3-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)pyrazole-4-carbonitrile?
The InChIKey is FCWBTBVHZWPMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-20-7-6-19-13(17)12(8-16)14(18-19)21-9-10-2-4-11(15)5-3-10/h2-5H,6-7,9,17H2,1H3.
What are the key properties of 5-amino-3-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)pyrazole-4-carbonitrile?
5-amino-3-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)pyrazole-4-carbonitrile has a molecular weight of 290.30 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 100763957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).