[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C22H20FN3O — CID 38169423

IUPAC[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCc1c(C(=O)N2CC=C(c3ccccc3)CC2)cnn1-c1ccccc1F
InChIInChI=1S/C22H20FN3O/c1-16-19(15-24-26(16)21-10-6-5-9-20(21)23)22(27)25-13-11-18(12-14-25)17-7-3-2-4-8-17/h2-11,15H,12-14H2,1H3
InChIKeyLTUYOZCIXJVVEU-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.25
Rot. Bonds3

About [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 38169423) has the molecular formula C22H20FN3O and a molecular weight of 361.42 g/mol. Its IUPAC name is [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID38169423
Molecular FormulaC22H20FN3O
Molecular Weight361.42 g/mol
Exact Mass361.16
IUPAC Name[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCc1c(C(=O)N2CC=C(c3ccccc3)CC2)cnn1-c1ccccc1F
InChIInChI=1S/C22H20FN3O/c1-16-19(15-24-26(16)21-10-6-5-9-20(21)23)22(27)25-13-11-18(12-14-25)17-7-3-2-4-8-17/h2-11,15H,12-14H2,1H3
InChIKeyLTUYOZCIXJVVEU-UHFFFAOYSA-N
XLogP4.25
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38169573
[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 134026359
(4-ethylpiperazin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone
CID 134023843
4-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119239314
[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 71897836
(5-cyclopropyl-1-phenylpyrazol-4-yl)-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 112814345
[1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 53178987
(2-methylsulfanylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 18106500
1-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 55520901
(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone
CID 55671504
(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone
CID 55881783
N'-(2-fluorobenzoyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
CID 33480680

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 38169423) is [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is Cc1c(C(=O)N2CC=C(c3ccccc3)CC2)cnn1-c1ccccc1F.
What is the InChIKey of [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is LTUYOZCIXJVVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O/c1-16-19(15-24-26(16)21-10-6-5-9-20(21)23)22(27)25-13-11-18(12-14-25)17-7-3-2-4-8-17/h2-11,15H,12-14H2,1H3.
What are the key properties of [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 361.42 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 38169423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).