N-[2-amino-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylpyrazole-4-carboxamide

C17H16FN5O — CID 166361248

IUPACN-[2-amino-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylpyrazole-4-carboxamide
SMILESNCC(NC(=O)c1cnn(-c2ccncc2)c1)c1ccccc1F
InChIInChI=1S/C17H16FN5O/c18-15-4-2-1-3-14(15)16(9-19)22-17(24)12-10-21-23(11-12)13-5-7-20-8-6-13/h1-8,10-11,16H,9,19H2,(H,22,24)
InChIKeyXJWFTHMGHUXJCQ-UHFFFAOYSA-N
MW325.35 g/mol
LogP1.84
Rot. Bonds5

About N-[2-amino-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylpyrazole-4-carboxamide

N-[2-amino-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylpyrazole-4-carboxamide (PubChem CID 166361248) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is N-[2-amino-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-amino-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylpyrazole-4-carboxamide
PubChem CID166361248
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC NameN-[2-amino-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylpyrazole-4-carboxamide
SMILESNCC(NC(=O)c1cnn(-c2ccncc2)c1)c1ccccc1F
InChIInChI=1S/C17H16FN5O/c18-15-4-2-1-3-14(15)16(9-19)22-17(24)12-10-21-23(11-12)13-5-7-20-8-6-13/h1-8,10-11,16H,9,19H2,(H,22,24)
InChIKeyXJWFTHMGHUXJCQ-UHFFFAOYSA-N
XLogP1.84
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylpyrazole-4-carboxamide?
The IUPAC name of N-[2-amino-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylpyrazole-4-carboxamide (CID 166361248) is N-[2-amino-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-amino-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-amino-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylpyrazole-4-carboxamide is NCC(NC(=O)c1cnn(-c2ccncc2)c1)c1ccccc1F.
What is the InChIKey of N-[2-amino-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylpyrazole-4-carboxamide?
The InChIKey is XJWFTHMGHUXJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O/c18-15-4-2-1-3-14(15)16(9-19)22-17(24)12-10-21-23(11-12)13-5-7-20-8-6-13/h1-8,10-11,16H,9,19H2,(H,22,24).
What are the key properties of N-[2-amino-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylpyrazole-4-carboxamide?
N-[2-amino-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylpyrazole-4-carboxamide has a molecular weight of 325.35 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 166361248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).