[4-(4-chlorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]methanone

C26H24ClN5O — CID 53006257

IUPAC[4-(4-chlorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]methanone
SMILESCc1ccc(-n2nc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc2-c2cccnc2)cc1
InChIInChI=1S/C26H24ClN5O/c1-19-4-8-23(9-5-19)32-25(20-3-2-12-28-18-20)17-24(29-32)26(33)31-15-13-30(14-16-31)22-10-6-21(27)7-11-22/h2-12,17-18H,13-16H2,1H3
InChIKeyANDNKMVADWCDEW-UHFFFAOYSA-N
MW457.97 g/mol
LogP4.86
Rot. Bonds4

About [4-(4-chlorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]methanone

[4-(4-chlorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]methanone (PubChem CID 53006257) has the molecular formula C26H24ClN5O and a molecular weight of 457.97 g/mol. Its IUPAC name is [4-(4-chlorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]methanone
PubChem CID53006257
Molecular FormulaC26H24ClN5O
Molecular Weight457.97 g/mol
Exact Mass457.17
IUPAC Name[4-(4-chlorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]methanone
SMILESCc1ccc(-n2nc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc2-c2cccnc2)cc1
InChIInChI=1S/C26H24ClN5O/c1-19-4-8-23(9-5-19)32-25(20-3-2-12-28-18-20)17-24(29-32)26(33)31-15-13-30(14-16-31)22-10-6-21(27)7-11-22/h2-12,17-18H,13-16H2,1H3
InChIKeyANDNKMVADWCDEW-UHFFFAOYSA-N
XLogP4.86
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.97
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 53067825
[5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 71697669
[1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 46323923
[4-(4-chlorophenyl)piperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 60557626
[5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 5128071
[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone
CID 45276620
N-(4-chloro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067744
1-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]piperidin-4-one
CID 45276937
[(3S)-3-methoxypiperidin-1-yl]-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)methanone
CID 154848010
1-(4-methylphenyl)-5-phenylpyrazole-3-carboxylic acid
CID 750183
N-(2,6-dimethylphenyl)-1-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067674
4-[1-(4-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-5-yl]benzenesulfonamide
CID 162668414

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]methanone?
The IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]methanone (CID 53006257) is [4-(4-chlorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]methanone.
What is the SMILES notation for [4-(4-chlorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]methanone?
The canonical SMILES for [4-(4-chlorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]methanone is Cc1ccc(-n2nc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc2-c2cccnc2)cc1.
What is the InChIKey of [4-(4-chlorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]methanone?
The InChIKey is ANDNKMVADWCDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN5O/c1-19-4-8-23(9-5-19)32-25(20-3-2-12-28-18-20)17-24(29-32)26(33)31-15-13-30(14-16-31)22-10-6-21(27)7-11-22/h2-12,17-18H,13-16H2,1H3.
What are the key properties of [4-(4-chlorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]methanone?
[4-(4-chlorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]methanone has a molecular weight of 457.97 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]methanone is sourced from PubChem (CID 53006257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).