5-amino-3-[(4-fluorophenyl)methoxy]-1-propylpyrazole-4-carbonitrile

C14H15FN4O — CID 100762189

IUPAC5-amino-3-[(4-fluorophenyl)methoxy]-1-propylpyrazole-4-carbonitrile
SMILESCCCn1nc(OCc2ccc(F)cc2)c(C#N)c1N
InChIInChI=1S/C14H15FN4O/c1-2-7-19-13(17)12(8-16)14(18-19)20-9-10-3-5-11(15)6-4-10/h3-6H,2,7,9,17H2,1H3
InChIKeyVBWRBDDBLYRMER-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.47
Rot. Bonds5

About 5-amino-3-[(4-fluorophenyl)methoxy]-1-propylpyrazole-4-carbonitrile

5-amino-3-[(4-fluorophenyl)methoxy]-1-propylpyrazole-4-carbonitrile (PubChem CID 100762189) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 5-amino-3-[(4-fluorophenyl)methoxy]-1-propylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-[(4-fluorophenyl)methoxy]-1-propylpyrazole-4-carbonitrile
PubChem CID100762189
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name5-amino-3-[(4-fluorophenyl)methoxy]-1-propylpyrazole-4-carbonitrile
SMILESCCCn1nc(OCc2ccc(F)cc2)c(C#N)c1N
InChIInChI=1S/C14H15FN4O/c1-2-7-19-13(17)12(8-16)14(18-19)20-9-10-3-5-11(15)6-4-10/h3-6H,2,7,9,17H2,1H3
InChIKeyVBWRBDDBLYRMER-UHFFFAOYSA-N
XLogP2.47
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-amino-3-[(4-fluorophenyl)methoxy]-1-propylpyrazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(4-fluorophenyl)methoxy]-1-propylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-[(4-fluorophenyl)methoxy]-1-propylpyrazole-4-carbonitrile (CID 100762189) is 5-amino-3-[(4-fluorophenyl)methoxy]-1-propylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-[(4-fluorophenyl)methoxy]-1-propylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-[(4-fluorophenyl)methoxy]-1-propylpyrazole-4-carbonitrile is CCCn1nc(OCc2ccc(F)cc2)c(C#N)c1N.
What is the InChIKey of 5-amino-3-[(4-fluorophenyl)methoxy]-1-propylpyrazole-4-carbonitrile?
The InChIKey is VBWRBDDBLYRMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c1-2-7-19-13(17)12(8-16)14(18-19)20-9-10-3-5-11(15)6-4-10/h3-6H,2,7,9,17H2,1H3.
What are the key properties of 5-amino-3-[(4-fluorophenyl)methoxy]-1-propylpyrazole-4-carbonitrile?
5-amino-3-[(4-fluorophenyl)methoxy]-1-propylpyrazole-4-carbonitrile has a molecular weight of 274.30 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(4-fluorophenyl)methoxy]-1-propylpyrazole-4-carbonitrile is sourced from PubChem (CID 100762189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).