(2,5-difluorophenyl)-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methanone

C22H21F2N3O — CID 45173527

IUPAC(2,5-difluorophenyl)-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methanone
SMILESO=C(c1cc(F)ccc1F)C1CCCN(Cc2ccc(-n3cccn3)cc2)C1
InChIInChI=1S/C22H21F2N3O/c23-18-6-9-21(24)20(13-18)22(28)17-3-1-11-26(15-17)14-16-4-7-19(8-5-16)27-12-2-10-25-27/h2,4-10,12-13,17H,1,3,11,14-15H2
InChIKeyQECSCMHZTSPKLD-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.25
Rot. Bonds5

About (2,5-difluorophenyl)-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methanone

(2,5-difluorophenyl)-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methanone (PubChem CID 45173527) has the molecular formula C22H21F2N3O and a molecular weight of 381.43 g/mol. Its IUPAC name is (2,5-difluorophenyl)-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methanone
PubChem CID45173527
Molecular FormulaC22H21F2N3O
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name(2,5-difluorophenyl)-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methanone
SMILESO=C(c1cc(F)ccc1F)C1CCCN(Cc2ccc(-n3cccn3)cc2)C1
InChIInChI=1S/C22H21F2N3O/c23-18-6-9-21(24)20(13-18)22(28)17-3-1-11-26(15-17)14-16-4-7-19(8-5-16)27-12-2-10-25-27/h2,4-10,12-13,17H,1,3,11,14-15H2
InChIKeyQECSCMHZTSPKLD-UHFFFAOYSA-N
XLogP4.25
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-Pyrazol-1-yl)benzaldehyde
CID 2776477
3-(1-Phenyl-1h-Pyrazol-5-Yl)-1-[3-(Trifluoromethyl)phenyl]pyridazin-4(1h)-One
CID 46219819
3-(4-fluorophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 700989
2-(1,3-Diphenylpyrazol-4-yl)-1-piperidin-1-ylethanone
CID 4799063
3-[1-(2-fluorophenyl)-1H-pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]-4(1H)-pyridazinone
CID 1479697
3-Phenyl-1-P-tolyl-1H-pyrazole-4-carbaldehyde
CID 3827316
2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-1H-quinolin-4-one
CID 67617039
2-Phenyl-2-(5-phenyl-1-pyrazolyl)acetophenone
CID 319155
1-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazole-4-carbonyl]piperidine
CID 882738
1-[4-(4-methylbenzoyl)-1-phenyl-1H-pyrazol-3-yl]ethanone
CID 1214550
1-Benzyl-1-methyl-4-[3-(5-methyl-1-phenyl-1H-pyrazol-3-yl)-3-oxo-propyl]-piperidinium
CID 10001179
4-biphenylyl{1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}methanone
CID 16187239

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methanone?
The IUPAC name of (2,5-difluorophenyl)-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methanone (CID 45173527) is (2,5-difluorophenyl)-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for (2,5-difluorophenyl)-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for (2,5-difluorophenyl)-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methanone is O=C(c1cc(F)ccc1F)C1CCCN(Cc2ccc(-n3cccn3)cc2)C1.
What is the InChIKey of (2,5-difluorophenyl)-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methanone?
The InChIKey is QECSCMHZTSPKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O/c23-18-6-9-21(24)20(13-18)22(28)17-3-1-11-26(15-17)14-16-4-7-19(8-5-16)27-12-2-10-25-27/h2,4-10,12-13,17H,1,3,11,14-15H2.
What are the key properties of (2,5-difluorophenyl)-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methanone?
(2,5-difluorophenyl)-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methanone has a molecular weight of 381.43 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 45173527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).