(4-benzhydrylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone

C22H24N4O — CID 9041254

IUPAC(4-benzhydrylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cn1
InChIInChI=1S/C22H24N4O/c1-24-17-20(16-23-24)22(27)26-14-12-25(13-15-26)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16-17,21H,12-15H2,1H3
InChIKeyLCHGWAWKSAOYPX-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.97
Rot. Bonds4

About (4-benzhydrylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone

(4-benzhydrylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone (PubChem CID 9041254) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
PubChem CID9041254
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name(4-benzhydrylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cn1
InChIInChI=1S/C22H24N4O/c1-24-17-20(16-23-24)22(27)26-14-12-25(13-15-26)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16-17,21H,12-15H2,1H3
InChIKeyLCHGWAWKSAOYPX-UHFFFAOYSA-N
XLogP2.97
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-1 H-pyrazole-4-carboxylic acid 4-carbamimidoyl-benzylamide
CID 24857697
1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-[4-(1-methylpyrazol-4-yl)phenyl]ethane-1,2-dione
CID 44191530
US9670157, 85 1-[4-(4-Methyl-pyrazol-1-ylmethyl)-benzyl]-1H-pyrazole-4-carboxylic acid 4-aminomethyl-benzylamide
CID 86290349
N-[[4-(aminomethyl)phenyl]methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 90280145
(1,3-Diphenylpyrazol-4-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 8107007
[1-(4-Methylphenyl)-3-phenylpyrazol-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 16311133
1-[3-[Methyl(2-phenylethyl)amino]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 24790635
1-{1-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]-3-piperidinyl}-4-(2-methylphenyl)piperazine
CID 24793812
N-(4-isopropylphenyl)-1-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]-3-piperidinamine
CID 24817215
1-(2-methylphenyl)-4-{1-[3-(3-methyl-1H-pyrazol-1-yl)propanoyl]-3-piperidinyl}piperazine
CID 45175316
N-(2-(4-((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl)piperazin-1-yl)-2-cyclohexylethyl)-N,1-diisopropyl-1H-pyrazole-4-carboxamide
CID 49862377
1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxo-N-(2-phenyl-2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 164618127

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone (CID 9041254) is (4-benzhydrylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone is Cn1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cn1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone?
The InChIKey is LCHGWAWKSAOYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-24-17-20(16-23-24)22(27)26-14-12-25(13-15-26)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16-17,21H,12-15H2,1H3.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone?
(4-benzhydrylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone has a molecular weight of 360.46 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 9041254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).