(5-methyl-2-phenylpyrazol-3-yl)-(4-naphthalen-1-ylpiperazin-1-yl)methanone

C25H24N4O — CID 10250156

IUPAC(5-methyl-2-phenylpyrazol-3-yl)-(4-naphthalen-1-ylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3cccc4ccccc34)CC2)n(-c2ccccc2)n1
InChIInChI=1S/C25H24N4O/c1-19-18-24(29(26-19)21-10-3-2-4-11-21)25(30)28-16-14-27(15-17-28)23-13-7-9-20-8-5-6-12-22(20)23/h2-13,18H,14-17H2,1H3
InChIKeyOYZAKBZWGAJBDW-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.30
Rot. Bonds3

About (5-methyl-2-phenylpyrazol-3-yl)-(4-naphthalen-1-ylpiperazin-1-yl)methanone

(5-methyl-2-phenylpyrazol-3-yl)-(4-naphthalen-1-ylpiperazin-1-yl)methanone (PubChem CID 10250156) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is (5-methyl-2-phenylpyrazol-3-yl)-(4-naphthalen-1-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-methyl-2-phenylpyrazol-3-yl)-(4-naphthalen-1-ylpiperazin-1-yl)methanone
PubChem CID10250156
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name(5-methyl-2-phenylpyrazol-3-yl)-(4-naphthalen-1-ylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3cccc4ccccc34)CC2)n(-c2ccccc2)n1
InChIInChI=1S/C25H24N4O/c1-19-18-24(29(26-19)21-10-3-2-4-11-21)25(30)28-16-14-27(15-17-28)23-13-7-9-20-8-5-6-12-22(20)23/h2-13,18H,14-17H2,1H3
InChIKeyOYZAKBZWGAJBDW-UHFFFAOYSA-N
XLogP4.30
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-2-phenylpyrazol-3-yl)methanone
CID 10090944
[4-(2-ethylphenyl)piperazin-1-yl]-[2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone
CID 10069792
[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 10252224
[4-(2-methylphenyl)piperazin-1-yl]-[3-(1-methylpyrrol-2-yl)-1-phenylpyrazol-5-yl]methanone
CID 3510138
[4-(4-chlorophenyl)piperazin-1-yl]-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]methanone
CID 90972119
[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4046397
[4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]methanone
CID 3651185
[4-(3,4-dimethylphenyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]methanone
CID 10001274
[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 10410315
[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]methanone
CID 10047852
[4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 38358170
[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 10411191

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-phenylpyrazol-3-yl)-(4-naphthalen-1-ylpiperazin-1-yl)methanone?
The IUPAC name of (5-methyl-2-phenylpyrazol-3-yl)-(4-naphthalen-1-ylpiperazin-1-yl)methanone (CID 10250156) is (5-methyl-2-phenylpyrazol-3-yl)-(4-naphthalen-1-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-methyl-2-phenylpyrazol-3-yl)-(4-naphthalen-1-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5-methyl-2-phenylpyrazol-3-yl)-(4-naphthalen-1-ylpiperazin-1-yl)methanone is Cc1cc(C(=O)N2CCN(c3cccc4ccccc34)CC2)n(-c2ccccc2)n1.
What is the InChIKey of (5-methyl-2-phenylpyrazol-3-yl)-(4-naphthalen-1-ylpiperazin-1-yl)methanone?
The InChIKey is OYZAKBZWGAJBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-19-18-24(29(26-19)21-10-3-2-4-11-21)25(30)28-16-14-27(15-17-28)23-13-7-9-20-8-5-6-12-22(20)23/h2-13,18H,14-17H2,1H3.
What are the key properties of (5-methyl-2-phenylpyrazol-3-yl)-(4-naphthalen-1-ylpiperazin-1-yl)methanone?
(5-methyl-2-phenylpyrazol-3-yl)-(4-naphthalen-1-ylpiperazin-1-yl)methanone has a molecular weight of 396.49 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-phenylpyrazol-3-yl)-(4-naphthalen-1-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 10250156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).