[4-(5-methylpyrazol-1-yl)phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone

C25H24N6O — CID 56537558

IUPAC[4-(5-methylpyrazol-1-yl)phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1ccnn1-c1ccc(C(=O)N2CCN(c3ccnc(-c4ccccc4)n3)CC2)cc1
InChIInChI=1S/C25H24N6O/c1-19-11-14-27-31(19)22-9-7-21(8-10-22)25(32)30-17-15-29(16-18-30)23-12-13-26-24(28-23)20-5-3-2-4-6-20/h2-14H,15-18H2,1H3
InChIKeyPPUGWHJKVPMCQA-UHFFFAOYSA-N
MW424.51 g/mol
LogP3.60
Rot. Bonds4

About [4-(5-methylpyrazol-1-yl)phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone

[4-(5-methylpyrazol-1-yl)phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 56537558) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is [4-(5-methylpyrazol-1-yl)phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(5-methylpyrazol-1-yl)phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID56537558
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Name[4-(5-methylpyrazol-1-yl)phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1ccnn1-c1ccc(C(=O)N2CCN(c3ccnc(-c4ccccc4)n3)CC2)cc1
InChIInChI=1S/C25H24N6O/c1-19-11-14-27-31(19)22-9-7-21(8-10-22)25(32)30-17-15-29(16-18-30)23-12-13-26-24(28-23)20-5-3-2-4-6-20/h2-14H,15-18H2,1H3
InChIKeyPPUGWHJKVPMCQA-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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Related Compounds

[4-[ethyl(methyl)amino]phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537250
[4-(ethylsulfanylmethyl)phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537305
2,3-dihydro-1,4-benzodioxin-6-yl-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537119
azocan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 17395851
azepan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 9036784
[4-(5-methylpyrazol-1-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 43040249
[1-(furan-3-carbonyl)piperidin-4-yl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537131
[4-(5-methylpyrazol-1-yl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 9476777
3,4-dimethyl-5-[4-(2-phenylpyrimidin-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 75463327
(7-chloro-3-methyl-1-benzofuran-2-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537491
[3-(difluoromethoxy)-4-methoxyphenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537246
3,4-dihydro-1H-isoquinolin-2-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 29196139

Frequently Asked Questions

What is the IUPAC name of [4-(5-methylpyrazol-1-yl)phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of [4-(5-methylpyrazol-1-yl)phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 56537558) is [4-(5-methylpyrazol-1-yl)phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(5-methylpyrazol-1-yl)phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(5-methylpyrazol-1-yl)phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone is Cc1ccnn1-c1ccc(C(=O)N2CCN(c3ccnc(-c4ccccc4)n3)CC2)cc1.
What is the InChIKey of [4-(5-methylpyrazol-1-yl)phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is PPUGWHJKVPMCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c1-19-11-14-27-31(19)22-9-7-21(8-10-22)25(32)30-17-15-29(16-18-30)23-12-13-26-24(28-23)20-5-3-2-4-6-20/h2-14H,15-18H2,1H3.
What are the key properties of [4-(5-methylpyrazol-1-yl)phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone?
[4-(5-methylpyrazol-1-yl)phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-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-(5-methylpyrazol-1-yl)phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 56537558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).