[(2R)-2-benzylpiperazin-1-yl]-(2-phenylpyrazol-3-yl)methanone

C21H22N4O — CID 25265689

IUPAC[(2R)-2-benzylpiperazin-1-yl]-(2-phenylpyrazol-3-yl)methanone
SMILESO=C(c1ccnn1-c1ccccc1)N1CCNC[C@H]1Cc1ccccc1
InChIInChI=1S/C21H22N4O/c26-21(20-11-12-23-25(20)18-9-5-2-6-10-18)24-14-13-22-16-19(24)15-17-7-3-1-4-8-17/h1-12,19,22H,13-16H2/t19-/m1/s1
InChIKeyMWIQVFXNCAHHOX-LJQANCHMSA-N
MW346.43 g/mol
LogP2.53
Rot. Bonds4

About [(2R)-2-benzylpiperazin-1-yl]-(2-phenylpyrazol-3-yl)methanone

[(2R)-2-benzylpiperazin-1-yl]-(2-phenylpyrazol-3-yl)methanone (PubChem CID 25265689) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is [(2R)-2-benzylpiperazin-1-yl]-(2-phenylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-benzylpiperazin-1-yl]-(2-phenylpyrazol-3-yl)methanone
PubChem CID25265689
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name[(2R)-2-benzylpiperazin-1-yl]-(2-phenylpyrazol-3-yl)methanone
SMILESO=C(c1ccnn1-c1ccccc1)N1CCNC[C@H]1Cc1ccccc1
InChIInChI=1S/C21H22N4O/c26-21(20-11-12-23-25(20)18-9-5-2-6-10-18)24-14-13-22-16-19(24)15-17-7-3-1-4-8-17/h1-12,19,22H,13-16H2/t19-/m1/s1
InChIKeyMWIQVFXNCAHHOX-LJQANCHMSA-N
XLogP2.53
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-benzylpiperazine-1-carboxylic acid
CID 141413078
[(2S)-2-benzylpiperazin-1-yl]-naphthalen-1-ylmethanone
CID 151542372
(2-benzylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 76587190
[(2R)-2-benzylpiperazin-1-yl]-(2-phenylphenyl)methanone
CID 25265687
[(2R)-2-benzylpiperazin-1-yl]-(5-methyl-1,2-diphenylpyrrol-3-yl)methanone
CID 59324752
ethyl 2-benzylpiperazine-1-carboxylate
CID 70103496
1-(2-phenylpyrazol-3-yl)-2-pyrrolidin-3-ylethanone
CID 107331673
(2-benzylpiperazin-1-yl)-(1-tert-butyl-5-phenylpyrazol-4-yl)methanone
CID 68986060
(2-benzylpiperazin-1-yl)-[1-(2-phenoxyphenyl)pyrrol-2-yl]methanone
CID 68986894
2-amino-1-(2-benzylpiperazin-1-yl)-3-hydroxypropan-1-one
CID 110480760
(2-benzylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 82247957
prop-2-enyl 2-benzylpiperazine-1-carboxylate
CID 82245927

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-benzylpiperazin-1-yl]-(2-phenylpyrazol-3-yl)methanone?
The IUPAC name of [(2R)-2-benzylpiperazin-1-yl]-(2-phenylpyrazol-3-yl)methanone (CID 25265689) is [(2R)-2-benzylpiperazin-1-yl]-(2-phenylpyrazol-3-yl)methanone.
What is the SMILES notation for [(2R)-2-benzylpiperazin-1-yl]-(2-phenylpyrazol-3-yl)methanone?
The canonical SMILES for [(2R)-2-benzylpiperazin-1-yl]-(2-phenylpyrazol-3-yl)methanone is O=C(c1ccnn1-c1ccccc1)N1CCNC[C@H]1Cc1ccccc1.
What is the InChIKey of [(2R)-2-benzylpiperazin-1-yl]-(2-phenylpyrazol-3-yl)methanone?
The InChIKey is MWIQVFXNCAHHOX-LJQANCHMSA-N. The full InChI is InChI=1S/C21H22N4O/c26-21(20-11-12-23-25(20)18-9-5-2-6-10-18)24-14-13-22-16-19(24)15-17-7-3-1-4-8-17/h1-12,19,22H,13-16H2/t19-/m1/s1.
What are the key properties of [(2R)-2-benzylpiperazin-1-yl]-(2-phenylpyrazol-3-yl)methanone?
[(2R)-2-benzylpiperazin-1-yl]-(2-phenylpyrazol-3-yl)methanone has a molecular weight of 346.43 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-benzylpiperazin-1-yl]-(2-phenylpyrazol-3-yl)methanone is sourced from PubChem (CID 25265689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).