4-[5-(aminomethyl)-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-1H-pyridin-2-one

C15H13FN4O — CID 22953837

IUPAC4-[5-(aminomethyl)-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-1H-pyridin-2-one
SMILESNCc1[nH]nc(-c2ccc(F)cc2)c1-c1cc[nH]c(=O)c1
InChIInChI=1S/C15H13FN4O/c16-11-3-1-9(2-4-11)15-14(12(8-17)19-20-15)10-5-6-18-13(21)7-10/h1-7H,8,17H2,(H,18,21)(H,19,20)
InChIKeyDUIVTTPOCKIKMV-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.03
Rot. Bonds3

About 4-[5-(aminomethyl)-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-1H-pyridin-2-one

4-[5-(aminomethyl)-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-1H-pyridin-2-one (PubChem CID 22953837) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 4-[5-(aminomethyl)-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[5-(aminomethyl)-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-1H-pyridin-2-one
PubChem CID22953837
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name4-[5-(aminomethyl)-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-1H-pyridin-2-one
SMILESNCc1[nH]nc(-c2ccc(F)cc2)c1-c1cc[nH]c(=O)c1
InChIInChI=1S/C15H13FN4O/c16-11-3-1-9(2-4-11)15-14(12(8-17)19-20-15)10-5-6-18-13(21)7-10/h1-7H,8,17H2,(H,18,21)(H,19,20)
InChIKeyDUIVTTPOCKIKMV-UHFFFAOYSA-N
XLogP2.03
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(aminomethyl)-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[5-(aminomethyl)-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-1H-pyridin-2-one (CID 22953837) is 4-[5-(aminomethyl)-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[5-(aminomethyl)-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[5-(aminomethyl)-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-1H-pyridin-2-one is NCc1[nH]nc(-c2ccc(F)cc2)c1-c1cc[nH]c(=O)c1.
What is the InChIKey of 4-[5-(aminomethyl)-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-1H-pyridin-2-one?
The InChIKey is DUIVTTPOCKIKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c16-11-3-1-9(2-4-11)15-14(12(8-17)19-20-15)10-5-6-18-13(21)7-10/h1-7H,8,17H2,(H,18,21)(H,19,20).
What are the key properties of 4-[5-(aminomethyl)-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-1H-pyridin-2-one?
4-[5-(aminomethyl)-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-1H-pyridin-2-one has a molecular weight of 284.29 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(aminomethyl)-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 22953837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).