3-amino-N-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-2-phenylpropanamide

C18H17FN4O — CID 156562807

IUPAC3-amino-N-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-2-phenylpropanamide
SMILESNCC(C(=O)Nc1ccc(-c2cn[nH]c2)cc1F)c1ccccc1
InChIInChI=1S/C18H17FN4O/c19-16-8-13(14-10-21-22-11-14)6-7-17(16)23-18(24)15(9-20)12-4-2-1-3-5-12/h1-8,10-11,15H,9,20H2,(H,21,22)(H,23,24)
InChIKeyDYGYVRRCXQMZJC-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.90
Rot. Bonds5

About 3-amino-N-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-2-phenylpropanamide

3-amino-N-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-2-phenylpropanamide (PubChem CID 156562807) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 3-amino-N-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-2-phenylpropanamide
PubChem CID156562807
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name3-amino-N-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-2-phenylpropanamide
SMILESNCC(C(=O)Nc1ccc(-c2cn[nH]c2)cc1F)c1ccccc1
InChIInChI=1S/C18H17FN4O/c19-16-8-13(14-10-21-22-11-14)6-7-17(16)23-18(24)15(9-20)12-4-2-1-3-5-12/h1-8,10-11,15H,9,20H2,(H,21,22)(H,23,24)
InChIKeyDYGYVRRCXQMZJC-UHFFFAOYSA-N
XLogP2.90
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-2-phenylpropanamide?
The IUPAC name of 3-amino-N-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-2-phenylpropanamide (CID 156562807) is 3-amino-N-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-2-phenylpropanamide is NCC(C(=O)Nc1ccc(-c2cn[nH]c2)cc1F)c1ccccc1.
What is the InChIKey of 3-amino-N-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-2-phenylpropanamide?
The InChIKey is DYGYVRRCXQMZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c19-16-8-13(14-10-21-22-11-14)6-7-17(16)23-18(24)15(9-20)12-4-2-1-3-5-12/h1-8,10-11,15H,9,20H2,(H,21,22)(H,23,24).
What are the key properties of 3-amino-N-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-2-phenylpropanamide?
3-amino-N-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-2-phenylpropanamide has a molecular weight of 324.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-2-phenylpropanamide is sourced from PubChem (CID 156562807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).