N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-hydroxyphenyl)acetamide

C23H19FN4O2 — CID 18674103

IUPACN-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-hydroxyphenyl)acetamide
SMILESCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C23H19FN4O2/c1-28-23(26-20(30)14-15-2-8-19(29)9-3-15)21(16-10-12-25-13-11-16)22(27-28)17-4-6-18(24)7-5-17/h2-13,29H,14H2,1H3,(H,26,30)
InChIKeyTYZQPECPPNYNJR-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.18
Rot. Bonds5

About N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-hydroxyphenyl)acetamide

N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-hydroxyphenyl)acetamide (PubChem CID 18674103) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-hydroxyphenyl)acetamide
PubChem CID18674103
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC NameN-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-hydroxyphenyl)acetamide
SMILESCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C23H19FN4O2/c1-28-23(26-20(30)14-15-2-8-19(29)9-3-15)21(16-10-12-25-13-11-16)22(27-28)17-4-6-18(24)7-5-17/h2-13,29H,14H2,1H3,(H,26,30)
InChIKeyTYZQPECPPNYNJR-UHFFFAOYSA-N
XLogP4.18
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-hydroxyphenyl)acetamide (CID 18674103) is N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-hydroxyphenyl)acetamide is Cn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1ccc(O)cc1.
What is the InChIKey of N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-hydroxyphenyl)acetamide?
The InChIKey is TYZQPECPPNYNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c1-28-23(26-20(30)14-15-2-8-19(29)9-3-15)21(16-10-12-25-13-11-16)22(27-28)17-4-6-18(24)7-5-17/h2-13,29H,14H2,1H3,(H,26,30).
What are the key properties of N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-hydroxyphenyl)acetamide?
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-hydroxyphenyl)acetamide has a molecular weight of 402.43 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 18674103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).