(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(1-phenylpyrazol-4-yl)methanone

C21H19N3O — CID 38168481

IUPAC(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(1-phenylpyrazol-4-yl)methanone
SMILESO=C(c1cnn(-c2ccccc2)c1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C21H19N3O/c25-21(19-15-22-24(16-19)20-9-5-2-6-10-20)23-13-11-18(12-14-23)17-7-3-1-4-8-17/h1-11,15-16H,12-14H2
InChIKeyVNRZWIMIPAJHRE-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.80
Rot. Bonds3

About (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(1-phenylpyrazol-4-yl)methanone

(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(1-phenylpyrazol-4-yl)methanone (PubChem CID 38168481) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(1-phenylpyrazol-4-yl)methanone
PubChem CID38168481
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(1-phenylpyrazol-4-yl)methanone
SMILESO=C(c1cnn(-c2ccccc2)c1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C21H19N3O/c25-21(19-15-22-24(16-19)20-9-5-2-6-10-20)23-13-11-18(12-14-23)17-7-3-1-4-8-17/h1-11,15-16H,12-14H2
InChIKeyVNRZWIMIPAJHRE-UHFFFAOYSA-N
XLogP3.80
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-(1-phenylpyrazol-4-yl)methanone
CID 60667576
(4-aminopiperidin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 28742248
(3,4-dichlorophenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 2568947
[(3R)-3-methylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 81426790
1,4-diazepan-1-yl-(1-phenylpyrazol-4-yl)methanone
CID 28742263
(4-benzhydrylpiperazin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 9041268
(2-fluoro-4-pyridinyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 61292889
[4-(dimethylamino)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38167889
N'-methyl-4-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263761
[3-(chloromethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 63396082
[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 17428329
N-(3-methylbutyl)-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 20932230

Frequently Asked Questions

What is the IUPAC name of (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(1-phenylpyrazol-4-yl)methanone?
The IUPAC name of (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(1-phenylpyrazol-4-yl)methanone (CID 38168481) is (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(1-phenylpyrazol-4-yl)methanone is O=C(c1cnn(-c2ccccc2)c1)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(1-phenylpyrazol-4-yl)methanone?
The InChIKey is VNRZWIMIPAJHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c25-21(19-15-22-24(16-19)20-9-5-2-6-10-20)23-13-11-18(12-14-23)17-7-3-1-4-8-17/h1-11,15-16H,12-14H2.
What are the key properties of (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(1-phenylpyrazol-4-yl)methanone?
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(1-phenylpyrazol-4-yl)methanone has a molecular weight of 329.40 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(1-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 38168481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).