[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone

C23H22Cl2N8O — CID 19472612

IUPAC[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone
SMILESO=C(c1ccn(Cn2nnc(-c3ccccc3)n2)n1)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C23H22Cl2N8O/c24-19-7-6-17(14-20(19)25)15-30-10-12-31(13-11-30)23(34)21-8-9-32(27-21)16-33-28-22(26-29-33)18-4-2-1-3-5-18/h1-9,14H,10-13,15-16H2
InChIKeyOZPLBGGFWKKKGY-UHFFFAOYSA-N
MW497.39 g/mol
LogP3.31
Rot. Bonds6

About [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone

[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone (PubChem CID 19472612) has the molecular formula C23H22Cl2N8O and a molecular weight of 497.39 g/mol. Its IUPAC name is [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone
PubChem CID19472612
Molecular FormulaC23H22Cl2N8O
Molecular Weight497.39 g/mol
Exact Mass496.13
IUPAC Name[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone
SMILESO=C(c1ccn(Cn2nnc(-c3ccccc3)n2)n1)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C23H22Cl2N8O/c24-19-7-6-17(14-20(19)25)15-30-10-12-31(13-11-30)23(34)21-8-9-32(27-21)16-33-28-22(26-29-33)18-4-2-1-3-5-18/h1-9,14H,10-13,15-16H2
InChIKeyOZPLBGGFWKKKGY-UHFFFAOYSA-N
XLogP3.31
TPSA84.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.39
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone
CID 19472615
[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone
CID 19472610
[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]methanone
CID 19472732
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone
CID 42586969
[1-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19473181
[1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19472974
N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 19268923
(4-benzyl-1,4-diazepan-1-yl)-(3,4-dichlorophenyl)methanone
CID 23969197
N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 19269117
N-(2,3,4,5,6-pentafluorophenyl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 4867083
[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-[1-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanone
CID 19472404
(4-benzylpiperazin-1-yl)-[1-[(4-bromo-2-chlorophenoxy)methyl]pyrazol-3-yl]methanone
CID 19290847

Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone?
The IUPAC name of [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone (CID 19472612) is [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone.
What is the SMILES notation for [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone?
The canonical SMILES for [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone is O=C(c1ccn(Cn2nnc(-c3ccccc3)n2)n1)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone?
The InChIKey is OZPLBGGFWKKKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N8O/c24-19-7-6-17(14-20(19)25)15-30-10-12-31(13-11-30)23(34)21-8-9-32(27-21)16-33-28-22(26-29-33)18-4-2-1-3-5-18/h1-9,14H,10-13,15-16H2.
What are the key properties of [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone?
[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone has a molecular weight of 497.39 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone is sourced from PubChem (CID 19472612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).