[4-(3-methyl-5-phenylpyrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C25H24N6O — CID 1034356

IUPAC[4-(3-methyl-5-phenylpyrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(-c2ccccc2)n(-c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)n1
InChIInChI=1S/C25H24N6O/c1-19-18-23(20-6-3-2-4-7-20)31(28-19)22-10-8-21(9-11-22)24(32)29-14-16-30(17-15-29)25-26-12-5-13-27-25/h2-13,18H,14-17H2,1H3
InChIKeyFJXOYEYLBAMSLY-UHFFFAOYSA-N
MW424.51 g/mol
LogP3.60
Rot. Bonds4

About [4-(3-methyl-5-phenylpyrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[4-(3-methyl-5-phenylpyrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 1034356) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is [4-(3-methyl-5-phenylpyrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(3-methyl-5-phenylpyrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID1034356
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Name[4-(3-methyl-5-phenylpyrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(-c2ccccc2)n(-c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)n1
InChIInChI=1S/C25H24N6O/c1-19-18-23(20-6-3-2-4-7-20)31(28-19)22-10-8-21(9-11-22)24(32)29-14-16-30(17-15-29)25-26-12-5-13-27-25/h2-13,18H,14-17H2,1H3
InChIKeyFJXOYEYLBAMSLY-UHFFFAOYSA-N
XLogP3.60
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(3-methyl-5-phenylpyrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-(3-methyl-5-phenylpyrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 1034356) is [4-(3-methyl-5-phenylpyrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(3-methyl-5-phenylpyrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(3-methyl-5-phenylpyrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Cc1cc(-c2ccccc2)n(-c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)n1.
What is the InChIKey of [4-(3-methyl-5-phenylpyrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is FJXOYEYLBAMSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c1-19-18-23(20-6-3-2-4-7-20)31(28-19)22-10-8-21(9-11-22)24(32)29-14-16-30(17-15-29)25-26-12-5-13-27-25/h2-13,18H,14-17H2,1H3.
What are the key properties of [4-(3-methyl-5-phenylpyrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[4-(3-methyl-5-phenylpyrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 424.51 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methyl-5-phenylpyrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 1034356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).