[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C26H25N5O — CID 3259084

IUPAC[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C26H25N5O/c1-20-10-12-21(13-11-20)25-23(19-31(28-25)22-7-3-2-4-8-22)26(32)30-17-15-29(16-18-30)24-9-5-6-14-27-24/h2-14,19H,15-18H2,1H3
InChIKeyIMWVJDCOIKUSOQ-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.21
Rot. Bonds4

About [3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 3259084) has the molecular formula C26H25N5O and a molecular weight of 423.52 g/mol. Its IUPAC name is [3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID3259084
Molecular FormulaC26H25N5O
Molecular Weight423.52 g/mol
Exact Mass423.21
IUPAC Name[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C26H25N5O/c1-20-10-12-21(13-11-20)25-23(19-31(28-25)22-7-3-2-4-8-22)26(32)30-17-15-29(16-18-30)24-9-5-6-14-27-24/h2-14,19H,15-18H2,1H3
InChIKeyIMWVJDCOIKUSOQ-UHFFFAOYSA-N
XLogP4.21
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 3259084) is [3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of [3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is IMWVJDCOIKUSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O/c1-20-10-12-21(13-11-20)25-23(19-31(28-25)22-7-3-2-4-8-22)26(32)30-17-15-29(16-18-30)24-9-5-6-14-27-24/h2-14,19H,15-18H2,1H3.
What are the key properties of [3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 423.52 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 3259084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).