[4-[[2-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone

C23H26N4O2 — CID 131928830

IUPAC[4-[[2-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccc4CO)CC3)[nH]n2)cc1
InChIInChI=1S/C23H26N4O2/c1-17-6-8-18(9-7-17)21-14-22(25-24-21)23(29)27-12-10-26(11-13-27)15-19-4-2-3-5-20(19)16-28/h2-9,14,28H,10-13,15-16H2,1H3,(H,24,25)
InChIKeyXIVBJBCGWFKXIN-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.84
Rot. Bonds5

About [4-[[2-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone

[4-[[2-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone (PubChem CID 131928830) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is [4-[[2-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[4-[[2-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
PubChem CID131928830
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name[4-[[2-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccc4CO)CC3)[nH]n2)cc1
InChIInChI=1S/C23H26N4O2/c1-17-6-8-18(9-7-17)21-14-22(25-24-21)23(29)27-12-10-26(11-13-27)15-19-4-2-3-5-20(19)16-28/h2-9,14,28H,10-13,15-16H2,1H3,(H,24,25)
InChIKeyXIVBJBCGWFKXIN-UHFFFAOYSA-N
XLogP2.84
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19515001
(4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 39854922
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone
CID 19514994
[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 19515184
[3-(4-methylphenyl)-1H-pyrazol-5-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19515077
1-[4-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 71946719
[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19515025
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 19515188
2-[4-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 39457294
[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 51046466
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone
CID 19514998
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19515200

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of [4-[[2-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone (CID 131928830) is [4-[[2-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for [4-[[2-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for [4-[[2-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone is Cc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccc4CO)CC3)[nH]n2)cc1.
What is the InChIKey of [4-[[2-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone?
The InChIKey is XIVBJBCGWFKXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17-6-8-18(9-7-17)21-14-22(25-24-21)23(29)27-12-10-26(11-13-27)15-19-4-2-3-5-20(19)16-28/h2-9,14,28H,10-13,15-16H2,1H3,(H,24,25).
What are the key properties of [4-[[2-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone?
[4-[[2-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 390.49 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 131928830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).