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

C20H21FN4O — CID 24889659

IUPAC2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1nc(-c2ccncc2)cc1Cc1ccc(F)cc1
InChIInChI=1S/C20H21FN4O/c1-14(2)23-20(26)13-25-18(11-15-3-5-17(21)6-4-15)12-19(24-25)16-7-9-22-10-8-16/h3-10,12,14H,11,13H2,1-2H3,(H,23,26)
InChIKeyWWLVADKXIKHRFJ-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.20
Rot. Bonds6

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

2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 24889659) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-N-propan-2-ylacetamide
PubChem CID24889659
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1nc(-c2ccncc2)cc1Cc1ccc(F)cc1
InChIInChI=1S/C20H21FN4O/c1-14(2)23-20(26)13-25-18(11-15-3-5-17(21)6-4-15)12-19(24-25)16-7-9-22-10-8-16/h3-10,12,14H,11,13H2,1-2H3,(H,23,26)
InChIKeyWWLVADKXIKHRFJ-UHFFFAOYSA-N
XLogP3.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-N-(2-hydroxypropyl)acetamide
CID 74346176
N-(2-amino-2-methylpropyl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetamide
CID 24889658
1-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]-1-methyl-3-propan-2-ylurea
CID 67091958
2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-1-[3-(methylamino)pyrrolidin-1-yl]ethanone
CID 67092224
1-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-3-(piperidin-4-ylamino)propan-2-one
CID 174574347
1-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]propylcarbamic acid
CID 67091949
1-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]pyrrolidin-3-yl]-1,3-dimethylurea
CID 67092246
1-[4-(aminomethyl)piperidin-1-yl]-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]ethanone
CID 141198879
2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-1-(4-pyrrol-1-ylpiperidin-1-yl)ethanone
CID 141198890
[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]methyl-methylcarbamic acid
CID 67092189
N-(4-fluorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052752
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(7-methyloctan-2-yl)acetamide
CID 56728951

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-N-propan-2-ylacetamide (CID 24889659) is 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1nc(-c2ccncc2)cc1Cc1ccc(F)cc1.
What is the InChIKey of 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is WWLVADKXIKHRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-14(2)23-20(26)13-25-18(11-15-3-5-17(21)6-4-15)12-19(24-25)16-7-9-22-10-8-16/h3-10,12,14H,11,13H2,1-2H3,(H,23,26).
What are the key properties of 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-N-propan-2-ylacetamide?
2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 352.41 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 24889659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).