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

C27H26N4O — CID 9041268

IUPAC(4-benzhydrylpiperazin-1-yl)-(1-phenylpyrazol-4-yl)methanone
SMILESO=C(c1cnn(-c2ccccc2)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H26N4O/c32-27(24-20-28-31(21-24)25-14-8-3-9-15-25)30-18-16-29(17-19-30)26(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-15,20-21,26H,16-19H2
InChIKeyNYNBIWWUGDDQKK-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.42
Rot. Bonds5

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

(4-benzhydrylpiperazin-1-yl)-(1-phenylpyrazol-4-yl)methanone (PubChem CID 9041268) has the molecular formula C27H26N4O and a molecular weight of 422.53 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-(1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-(1-phenylpyrazol-4-yl)methanone
PubChem CID9041268
Molecular FormulaC27H26N4O
Molecular Weight422.53 g/mol
Exact Mass422.21
IUPAC Name(4-benzhydrylpiperazin-1-yl)-(1-phenylpyrazol-4-yl)methanone
SMILESO=C(c1cnn(-c2ccccc2)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H26N4O/c32-27(24-20-28-31(21-24)25-14-8-3-9-15-25)30-18-16-29(17-19-30)26(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-15,20-21,26H,16-19H2
InChIKeyNYNBIWWUGDDQKK-UHFFFAOYSA-N
XLogP4.42
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-(1-phenylpyrazol-4-yl)methanone
CID 60667576
(4-aminopiperidin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 28742248
1,4-diazepan-1-yl-(1-phenylpyrazol-4-yl)methanone
CID 28742263
(1-phenylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226792
(1-phenylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42024013
(4-benzhydrylpiperazin-1-yl)-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanone
CID 4603079
[4-[phenyl(pyridin-3-yl)methyl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 166114858
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 9162740
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 38168481
(4-benzhydrylpiperazin-1-yl)-(3,5-difluorophenyl)methanone
CID 9337064
(4-benzhydrylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 1343328
(3-amino-4-methylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 103575963

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-(1-phenylpyrazol-4-yl)methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-(1-phenylpyrazol-4-yl)methanone (CID 9041268) is (4-benzhydrylpiperazin-1-yl)-(1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-(1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-(1-phenylpyrazol-4-yl)methanone is O=C(c1cnn(-c2ccccc2)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-(1-phenylpyrazol-4-yl)methanone?
The InChIKey is NYNBIWWUGDDQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O/c32-27(24-20-28-31(21-24)25-14-8-3-9-15-25)30-18-16-29(17-19-30)26(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-15,20-21,26H,16-19H2.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-(1-phenylpyrazol-4-yl)methanone?
(4-benzhydrylpiperazin-1-yl)-(1-phenylpyrazol-4-yl)methanone has a molecular weight of 422.53 g/mol, XLogP of 4.42, 5 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-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 9041268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).