2-[3-(2-ethyl-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone

C30H33N5O2 — CID 123226865

IUPAC2-[3-(2-ethyl-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
SMILESCCc1cc(C)ccc1-c1cc(-c2ccccc2)n(CC(=O)N2CCN(c3cc(OC)ccn3)CC2)n1
InChIInChI=1S/C30H33N5O2/c1-4-23-18-22(2)10-11-26(23)27-20-28(24-8-6-5-7-9-24)35(32-27)21-30(36)34-16-14-33(15-17-34)29-19-25(37-3)12-13-31-29/h5-13,18-20H,4,14-17,21H2,1-3H3
InChIKeySFYQZAJRONDQCC-UHFFFAOYSA-N
MW495.63 g/mol
LogP4.84
Rot. Bonds7

About 2-[3-(2-ethyl-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone

2-[3-(2-ethyl-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone (PubChem CID 123226865) has the molecular formula C30H33N5O2 and a molecular weight of 495.63 g/mol. Its IUPAC name is 2-[3-(2-ethyl-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[3-(2-ethyl-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
PubChem CID123226865
Molecular FormulaC30H33N5O2
Molecular Weight495.63 g/mol
Exact Mass495.26
IUPAC Name2-[3-(2-ethyl-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
SMILESCCc1cc(C)ccc1-c1cc(-c2ccccc2)n(CC(=O)N2CCN(c3cc(OC)ccn3)CC2)n1
InChIInChI=1S/C30H33N5O2/c1-4-23-18-22(2)10-11-26(23)27-20-28(24-8-6-5-7-9-24)35(32-27)21-30(36)34-16-14-33(15-17-34)29-19-25(37-3)12-13-31-29/h5-13,18-20H,4,14-17,21H2,1-3H3
InChIKeySFYQZAJRONDQCC-UHFFFAOYSA-N
XLogP4.84
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.63
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-Fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
CID 71586583
(E)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 5636860
2-[3-(Fluoromethyl)-4,5-dimethylpyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
CID 71053893
2-[3-(4-Fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone
CID 71571854
2-[3-(4-Fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 71571855
2-[5-(4-Fluoro-3-methylphenyl)-3-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 71571963
2-[3-[4-(Difluoromethyl)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone
CID 71571965
2-[3,5-Bis(4-fluorophenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone
CID 71572183
2-[3,5-Bis(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
CID 71572299
2-[3-(4-Fluoro-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(5-methoxypyridazin-3-yl)piperazin-1-yl]ethanone
CID 71572409
2-[3-(4-Fluoro-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
CID 71572410
2-[3-(4-Fluoro-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone
CID 71572516

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-ethyl-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[3-(2-ethyl-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone (CID 123226865) is 2-[3-(2-ethyl-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[3-(2-ethyl-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[3-(2-ethyl-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone is CCc1cc(C)ccc1-c1cc(-c2ccccc2)n(CC(=O)N2CCN(c3cc(OC)ccn3)CC2)n1.
What is the InChIKey of 2-[3-(2-ethyl-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone?
The InChIKey is SFYQZAJRONDQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O2/c1-4-23-18-22(2)10-11-26(23)27-20-28(24-8-6-5-7-9-24)35(32-27)21-30(36)34-16-14-33(15-17-34)29-19-25(37-3)12-13-31-29/h5-13,18-20H,4,14-17,21H2,1-3H3.
What are the key properties of 2-[3-(2-ethyl-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone?
2-[3-(2-ethyl-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone has a molecular weight of 495.63 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethyl-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 123226865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).