5-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-2-fluorobenzonitrile

C14H16FN5 — CID 66017721

IUPAC5-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-2-fluorobenzonitrile
SMILESCCCc1nn(C)c(Nc2ccc(F)c(C#N)c2)c1N
InChIInChI=1S/C14H16FN5/c1-3-4-12-13(17)14(20(2)19-12)18-10-5-6-11(15)9(7-10)8-16/h5-7,18H,3-4,17H2,1-2H3
InChIKeyLEADUYWBLFRJQO-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.71
Rot. Bonds4

About 5-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-2-fluorobenzonitrile

5-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-2-fluorobenzonitrile (PubChem CID 66017721) has the molecular formula C14H16FN5 and a molecular weight of 273.32 g/mol. Its IUPAC name is 5-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-2-fluorobenzonitrile
PubChem CID66017721
Molecular FormulaC14H16FN5
Molecular Weight273.32 g/mol
Exact Mass273.14
IUPAC Name5-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-2-fluorobenzonitrile
SMILESCCCc1nn(C)c(Nc2ccc(F)c(C#N)c2)c1N
InChIInChI=1S/C14H16FN5/c1-3-4-12-13(17)14(20(2)19-12)18-10-5-6-11(15)9(7-10)8-16/h5-7,18H,3-4,17H2,1-2H3
InChIKeyLEADUYWBLFRJQO-UHFFFAOYSA-N
XLogP2.71
TPSA79.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-2-fluorobenzonitrile?
The IUPAC name of 5-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-2-fluorobenzonitrile (CID 66017721) is 5-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-2-fluorobenzonitrile.
What is the SMILES notation for 5-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-2-fluorobenzonitrile?
The canonical SMILES for 5-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-2-fluorobenzonitrile is CCCc1nn(C)c(Nc2ccc(F)c(C#N)c2)c1N.
What is the InChIKey of 5-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-2-fluorobenzonitrile?
The InChIKey is LEADUYWBLFRJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5/c1-3-4-12-13(17)14(20(2)19-12)18-10-5-6-11(15)9(7-10)8-16/h5-7,18H,3-4,17H2,1-2H3.
What are the key properties of 5-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-2-fluorobenzonitrile?
5-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-2-fluorobenzonitrile has a molecular weight of 273.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-2-fluorobenzonitrile is sourced from PubChem (CID 66017721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).