[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

C23H26N4O2 — CID 1034354

IUPAC[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3ccc(-n4nc(C)cc4C)cc3)CC2)cc1
InChIInChI=1S/C23H26N4O2/c1-17-16-18(2)27(24-17)21-6-4-19(5-7-21)23(28)26-14-12-25(13-15-26)20-8-10-22(29-3)11-9-20/h4-11,16H,12-15H2,1-3H3
InChIKeyVDQPRWMZYVCKIW-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.46
Rot. Bonds4

About [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 1034354) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID1034354
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3ccc(-n4nc(C)cc4C)cc3)CC2)cc1
InChIInChI=1S/C23H26N4O2/c1-17-16-18(2)27(24-17)21-6-4-19(5-7-21)23(28)26-14-12-25(13-15-26)20-8-10-22(29-3)11-9-20/h4-11,16H,12-15H2,1-3H3
InChIKeyVDQPRWMZYVCKIW-UHFFFAOYSA-N
XLogP3.46
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

Apixaban
CID 10182969
1-(4-methoxyphenyl)-6-(4-{2-[(methylamino)methyl]phenyl}phenyl)-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 10116752
6-(4-{2-[(dimethylamino)methyl]phenyl}phenyl)-1-(4-methoxyphenyl)-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 10117541
6-{4-[2-(aminomethyl)phenyl]phenyl}-1-(4-methoxyphenyl)-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 10139899
6-(4-{2-[(dimethylamino)methyl]phenyl}phenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-7-one
CID 10208201
1-{4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl]phenyl}piperidin-2-one
CID 10299701
1-{4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl]phenyl}azepan-2-one
CID 10300491
1-(4-methoxyphenyl)-6-(1-{2-[(methylamino)methyl]phenyl}-4-piperidinyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 22318549
1-(4-methoxyphenyl)-6-[4-(N-methylacetamido)phenyl]-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 23635500
1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one
CID 24836819
N-{4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl]phenyl}-N-methylacetamide
CID 23635264
6-(4-{2-[(diethylamino)methyl]phenyl}phenyl)-1-(4-methoxyphenyl)-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 23636369

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (CID 1034354) is [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is COc1ccc(N2CCN(C(=O)c3ccc(-n4nc(C)cc4C)cc3)CC2)cc1.
What is the InChIKey of [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is VDQPRWMZYVCKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17-16-18(2)27(24-17)21-6-4-19(5-7-21)23(28)26-14-12-25(13-15-26)20-8-10-22(29-3)11-9-20/h4-11,16H,12-15H2,1-3H3.
What are the key properties of [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 390.49 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1034354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).