(4-methylpyrazol-1-yl)-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]methanone

C22H24N4O2 — CID 118526605

IUPAC(4-methylpyrazol-1-yl)-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCc1cnn(C(=O)N2CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)c1
InChIInChI=1S/C22H24N4O2/c1-18-15-23-26(16-18)22(27)25-13-11-24(12-14-25)17-19-7-9-21(10-8-19)28-20-5-3-2-4-6-20/h2-10,15-16H,11-14,17H2,1H3
InChIKeyOMWIDGPVQUAJDH-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.77
Rot. Bonds4

About (4-methylpyrazol-1-yl)-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]methanone

(4-methylpyrazol-1-yl)-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 118526605) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is (4-methylpyrazol-1-yl)-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylpyrazol-1-yl)-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]methanone
PubChem CID118526605
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name(4-methylpyrazol-1-yl)-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCc1cnn(C(=O)N2CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)c1
InChIInChI=1S/C22H24N4O2/c1-18-15-23-26(16-18)22(27)25-13-11-24(12-14-25)17-19-7-9-21(10-8-19)28-20-5-3-2-4-6-20/h2-10,15-16H,11-14,17H2,1H3
InChIKeyOMWIDGPVQUAJDH-UHFFFAOYSA-N
XLogP3.77
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone
CID 130187615
(4-methylpyrazol-1-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone
CID 130187588
[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]methanone
CID 158577123
(4-methylpyrazol-1-yl)-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 130187640
(4-aminopyrazol-1-yl)-[4-[(4-ethynylphenyl)methyl]piperazin-1-yl]methanone
CID 145315981
(4-benzyl-1,4-diazepan-1-yl)-(4-methylpyrazol-1-yl)methanone;(4-benzylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone;(4-methyl-1,4-diazepan-1-yl)-(4-methylpyrazol-1-yl)methanone;(4-methylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone;1-[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]ethanone;[4-(4-methylpyrazole-1-carbonyl)-1,4-diazepan-1-yl]methanesulfinate;1-[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]ethanone;[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]methanesulfinate;[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]-phenylmethanone
CID 162099203
[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone
CID 145315932
[4-[(3-phenoxyphenyl)methyl]-1,4-diazepan-1-yl]-pyrazol-1-ylmethanone
CID 155558286
(4-chloropyrazol-1-yl)-[4-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 118526524
1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-methylpyrazole-4-carboxamide
CID 118526909
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(2-phenoxy-3-pyridinyl)methanone
CID 23903349
[2-[(3,4-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone
CID 145315914

Frequently Asked Questions

What is the IUPAC name of (4-methylpyrazol-1-yl)-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-methylpyrazol-1-yl)-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]methanone (CID 118526605) is (4-methylpyrazol-1-yl)-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-methylpyrazol-1-yl)-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-methylpyrazol-1-yl)-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]methanone is Cc1cnn(C(=O)N2CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)c1.
What is the InChIKey of (4-methylpyrazol-1-yl)-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is OMWIDGPVQUAJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-18-15-23-26(16-18)22(27)25-13-11-24(12-14-25)17-19-7-9-21(10-8-19)28-20-5-3-2-4-6-20/h2-10,15-16H,11-14,17H2,1H3.
What are the key properties of (4-methylpyrazol-1-yl)-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]methanone?
(4-methylpyrazol-1-yl)-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 376.46 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpyrazol-1-yl)-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 118526605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).