4-(3-methyl-5-phenylpyrazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidine

C24H24N6 — CID 1069507

IUPAC4-(3-methyl-5-phenylpyrazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidine
SMILESCc1cc(-c2ccccc2)n(-c2cc(N3CCN(c4ccccc4)CC3)ncn2)n1
InChIInChI=1S/C24H24N6/c1-19-16-22(20-8-4-2-5-9-20)30(27-19)24-17-23(25-18-26-24)29-14-12-28(13-15-29)21-10-6-3-7-11-21/h2-11,16-18H,12-15H2,1H3
InChIKeyWBGFNXYDYGCJOM-UHFFFAOYSA-N
MW396.50 g/mol
LogP3.96
Rot. Bonds4

About 4-(3-methyl-5-phenylpyrazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidine

4-(3-methyl-5-phenylpyrazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidine (PubChem CID 1069507) has the molecular formula C24H24N6 and a molecular weight of 396.50 g/mol. Its IUPAC name is 4-(3-methyl-5-phenylpyrazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(3-methyl-5-phenylpyrazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidine
PubChem CID1069507
Molecular FormulaC24H24N6
Molecular Weight396.50 g/mol
Exact Mass396.21
IUPAC Name4-(3-methyl-5-phenylpyrazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidine
SMILESCc1cc(-c2ccccc2)n(-c2cc(N3CCN(c4ccccc4)CC3)ncn2)n1
InChIInChI=1S/C24H24N6/c1-19-16-22(20-8-4-2-5-9-20)30(27-19)24-17-23(25-18-26-24)29-14-12-28(13-15-29)21-10-6-3-7-11-21/h2-11,16-18H,12-15H2,1H3
InChIKeyWBGFNXYDYGCJOM-UHFFFAOYSA-N
XLogP3.96
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 53.96
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)-6-(4-phenylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-(3-methyl-5-phenylpyrazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidine (CID 1069507) is 4-(3-methyl-5-phenylpyrazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-(3-methyl-5-phenylpyrazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-(3-methyl-5-phenylpyrazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidine is Cc1cc(-c2ccccc2)n(-c2cc(N3CCN(c4ccccc4)CC3)ncn2)n1.
What is the InChIKey of 4-(3-methyl-5-phenylpyrazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidine?
The InChIKey is WBGFNXYDYGCJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6/c1-19-16-22(20-8-4-2-5-9-20)30(27-19)24-17-23(25-18-26-24)29-14-12-28(13-15-29)21-10-6-3-7-11-21/h2-11,16-18H,12-15H2,1H3.
What are the key properties of 4-(3-methyl-5-phenylpyrazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidine?
4-(3-methyl-5-phenylpyrazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidine has a molecular weight of 396.50 g/mol, XLogP of 3.96, 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)-6-(4-phenylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 1069507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).