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

C20H21FN4O2 — CID 74346176

IUPAC2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-N-(2-hydroxypropyl)acetamide
SMILESCC(O)CNC(=O)Cn1nc(-c2ccncc2)cc1Cc1ccc(F)cc1
InChIInChI=1S/C20H21FN4O2/c1-14(26)12-23-20(27)13-25-18(10-15-2-4-17(21)5-3-15)11-19(24-25)16-6-8-22-9-7-16/h2-9,11,14,26H,10,12-13H2,1H3,(H,23,27)
InChIKeyITVRLIZMQDSNGP-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.17
Rot. Bonds7

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

2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-N-(2-hydroxypropyl)acetamide (PubChem CID 74346176) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-N-(2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-N-(2-hydroxypropyl)acetamide
PubChem CID74346176
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-N-(2-hydroxypropyl)acetamide
SMILESCC(O)CNC(=O)Cn1nc(-c2ccncc2)cc1Cc1ccc(F)cc1
InChIInChI=1S/C20H21FN4O2/c1-14(26)12-23-20(27)13-25-18(10-15-2-4-17(21)5-3-15)11-19(24-25)16-6-8-22-9-7-16/h2-9,11,14,26H,10,12-13H2,1H3,(H,23,27)
InChIKeyITVRLIZMQDSNGP-UHFFFAOYSA-N
XLogP2.17
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-N-(2-hydroxypropyl)acetamide?
The IUPAC name of 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-N-(2-hydroxypropyl)acetamide (CID 74346176) is 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-N-(2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-N-(2-hydroxypropyl)acetamide?
The canonical SMILES for 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-N-(2-hydroxypropyl)acetamide is CC(O)CNC(=O)Cn1nc(-c2ccncc2)cc1Cc1ccc(F)cc1.
What is the InChIKey of 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-N-(2-hydroxypropyl)acetamide?
The InChIKey is ITVRLIZMQDSNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-14(26)12-23-20(27)13-25-18(10-15-2-4-17(21)5-3-15)11-19(24-25)16-6-8-22-9-7-16/h2-9,11,14,26H,10,12-13H2,1H3,(H,23,27).
What are the key properties of 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-N-(2-hydroxypropyl)acetamide?
2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-N-(2-hydroxypropyl)acetamide has a molecular weight of 368.41 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-N-(2-hydroxypropyl)acetamide is sourced from PubChem (CID 74346176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).