N-(4-fluorophenyl)-4-[4-[(propanoylamino)methyl]pyrazol-1-yl]benzamide

C20H19FN4O2 — CID 53161690

IUPACN-(4-fluorophenyl)-4-[4-[(propanoylamino)methyl]pyrazol-1-yl]benzamide
SMILESCCC(=O)NCc1cnn(-c2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C20H19FN4O2/c1-2-19(26)22-11-14-12-23-25(13-14)18-9-3-15(4-10-18)20(27)24-17-7-5-16(21)6-8-17/h3-10,12-13H,2,11H2,1H3,(H,22,26)(H,24,27)
InChIKeyBGOSQLRBUUJBFW-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.29
Rot. Bonds6

About N-(4-fluorophenyl)-4-[4-[(propanoylamino)methyl]pyrazol-1-yl]benzamide

N-(4-fluorophenyl)-4-[4-[(propanoylamino)methyl]pyrazol-1-yl]benzamide (PubChem CID 53161690) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[4-[(propanoylamino)methyl]pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[4-[(propanoylamino)methyl]pyrazol-1-yl]benzamide
PubChem CID53161690
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-(4-fluorophenyl)-4-[4-[(propanoylamino)methyl]pyrazol-1-yl]benzamide
SMILESCCC(=O)NCc1cnn(-c2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C20H19FN4O2/c1-2-19(26)22-11-14-12-23-25(13-14)18-9-3-15(4-10-18)20(27)24-17-7-5-16(21)6-8-17/h3-10,12-13H,2,11H2,1H3,(H,22,26)(H,24,27)
InChIKeyBGOSQLRBUUJBFW-UHFFFAOYSA-N
XLogP3.29
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(acetamidomethyl)pyrazol-1-yl]-N-(4-methylphenyl)benzamide
CID 53161673
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 86968649
4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]acetamide
CID 97207538
N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]propanamide
CID 156825130
N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 17483211
1-[1-(4-fluorophenyl)pyrazol-4-yl]propan-1-one
CID 171484231
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 156584726
4-fluoro-N-[4-[(3-methoxypropanoylamino)methyl]phenyl]benzamide
CID 56823918
N-(1-ethyl-6-oxo-3-pyridinyl)-4-fluorobenzamide
CID 47254966
1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047255
4-(4-chlorophenyl)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-oxobutanamide
CID 86968466

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[4-[(propanoylamino)methyl]pyrazol-1-yl]benzamide?
The IUPAC name of N-(4-fluorophenyl)-4-[4-[(propanoylamino)methyl]pyrazol-1-yl]benzamide (CID 53161690) is N-(4-fluorophenyl)-4-[4-[(propanoylamino)methyl]pyrazol-1-yl]benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[4-[(propanoylamino)methyl]pyrazol-1-yl]benzamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[4-[(propanoylamino)methyl]pyrazol-1-yl]benzamide is CCC(=O)NCc1cnn(-c2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1.
What is the InChIKey of N-(4-fluorophenyl)-4-[4-[(propanoylamino)methyl]pyrazol-1-yl]benzamide?
The InChIKey is BGOSQLRBUUJBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-2-19(26)22-11-14-12-23-25(13-14)18-9-3-15(4-10-18)20(27)24-17-7-5-16(21)6-8-17/h3-10,12-13H,2,11H2,1H3,(H,22,26)(H,24,27).
What are the key properties of N-(4-fluorophenyl)-4-[4-[(propanoylamino)methyl]pyrazol-1-yl]benzamide?
N-(4-fluorophenyl)-4-[4-[(propanoylamino)methyl]pyrazol-1-yl]benzamide has a molecular weight of 366.40 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[4-[(propanoylamino)methyl]pyrazol-1-yl]benzamide is sourced from PubChem (CID 53161690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).