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

C24H22FN3O — CID 112814345

IUPAC(5-cyclopropyl-1-phenylpyrazol-4-yl)-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C(c1cnn(-c2ccccc2)c1C1CC1)N1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H22FN3O/c25-20-10-8-17(9-11-20)18-12-14-27(15-13-18)24(29)22-16-26-28(23(22)19-6-7-19)21-4-2-1-3-5-21/h1-5,8-12,16,19H,6-7,13-15H2
InChIKeyHTCCBIMBDZYAIR-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.82
Rot. Bonds4

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

(5-cyclopropyl-1-phenylpyrazol-4-yl)-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 112814345) has the molecular formula C24H22FN3O and a molecular weight of 387.46 g/mol. Its IUPAC name is (5-cyclopropyl-1-phenylpyrazol-4-yl)-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1-phenylpyrazol-4-yl)-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID112814345
Molecular FormulaC24H22FN3O
Molecular Weight387.46 g/mol
Exact Mass387.17
IUPAC Name(5-cyclopropyl-1-phenylpyrazol-4-yl)-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C(c1cnn(-c2ccccc2)c1C1CC1)N1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H22FN3O/c25-20-10-8-17(9-11-20)18-12-14-27(15-13-18)24(29)22-16-26-28(23(22)19-6-7-19)21-4-2-1-3-5-21/h1-5,8-12,16,19H,6-7,13-15H2
InChIKeyHTCCBIMBDZYAIR-UHFFFAOYSA-N
XLogP4.82
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-cyclopropyl-1-phenylpyrazol-4-yl)-piperidin-1-ylmethanone
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(5-cyclopropyl-1-phenylpyrazol-4-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
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[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38169423
[1-(4-methylphenyl)-5-piperidin-4-ylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 20953845
[1-(4-methylphenyl)-5-piperidin-4-ylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone;hydrochloride
CID 146059766
4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 23149835
[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-quinolin-4-ylmethanone
CID 86911397
(5-cyclopropyl-1-phenylpyrazol-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119647191
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(1-phenylpyrazol-4-yl)methanone
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[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38169573
[1-(4-fluorophenyl)-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 76524758
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-cyclopropyl-1-phenylpyrazol-4-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1-phenylpyrazol-4-yl)-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1-phenylpyrazol-4-yl)-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 112814345) is (5-cyclopropyl-1-phenylpyrazol-4-yl)-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1-phenylpyrazol-4-yl)-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1-phenylpyrazol-4-yl)-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is O=C(c1cnn(-c2ccccc2)c1C1CC1)N1CC=C(c2ccc(F)cc2)CC1.
What is the InChIKey of (5-cyclopropyl-1-phenylpyrazol-4-yl)-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is HTCCBIMBDZYAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O/c25-20-10-8-17(9-11-20)18-12-14-27(15-13-18)24(29)22-16-26-28(23(22)19-6-7-19)21-4-2-1-3-5-21/h1-5,8-12,16,19H,6-7,13-15H2.
What are the key properties of (5-cyclopropyl-1-phenylpyrazol-4-yl)-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
(5-cyclopropyl-1-phenylpyrazol-4-yl)-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 387.46 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1-phenylpyrazol-4-yl)-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 112814345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).