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

C23H22F2N8O — CID 19472610

IUPAC[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone
SMILESO=C(c1ccn(Cn2nnc(-c3ccccc3)n2)n1)N1CCN(Cc2cccc(F)c2F)CC1
InChIInChI=1S/C23H22F2N8O/c24-19-8-4-7-18(21(19)25)15-30-11-13-31(14-12-30)23(34)20-9-10-32(27-20)16-33-28-22(26-29-33)17-5-2-1-3-6-17/h1-10H,11-16H2
InChIKeyKYATYMYGPAVKHY-UHFFFAOYSA-N
MW464.48 g/mol
LogP2.28
Rot. Bonds6

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

[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone (PubChem CID 19472610) has the molecular formula C23H22F2N8O and a molecular weight of 464.48 g/mol. Its IUPAC name is [4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone
PubChem CID19472610
Molecular FormulaC23H22F2N8O
Molecular Weight464.48 g/mol
Exact Mass464.19
IUPAC Name[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone
SMILESO=C(c1ccn(Cn2nnc(-c3ccccc3)n2)n1)N1CCN(Cc2cccc(F)c2F)CC1
InChIInChI=1S/C23H22F2N8O/c24-19-8-4-7-18(21(19)25)15-30-11-13-31(14-12-30)23(34)20-9-10-32(27-20)16-33-28-22(26-29-33)17-5-2-1-3-6-17/h1-10H,11-16H2
InChIKeyKYATYMYGPAVKHY-UHFFFAOYSA-N
XLogP2.28
TPSA84.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 52.28
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-[(4-phenylphenoxy)methyl]pyrazol-3-yl]methanone
CID 19473060
[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone
CID 19472612
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[1-[(4-phenylphenoxy)methyl]pyrazol-3-yl]methanone
CID 19473069
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone
CID 42586969
N-(2,3,4,5,6-pentafluorophenyl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 4867083
[1-[(4-chloro-3-methylphenoxy)methyl]pyrazol-3-yl]-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methanone
CID 19472799
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[1-[(4-methoxyphenoxy)methyl]pyrazol-3-yl]methanone
CID 19473045
[1-[(3,5-dimethylphenoxy)methyl]pyrazol-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 17022181
N-(1-methylpiperidin-4-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 19269078
N-(3,4-difluorophenyl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 4867261
[1-[(3-chloro-4-fluorophenoxy)methyl]pyrazol-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19472595

Frequently Asked Questions

What is the IUPAC name of [4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone?
The IUPAC name of [4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone (CID 19472610) is [4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone.
What is the SMILES notation for [4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone?
The canonical SMILES for [4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone is O=C(c1ccn(Cn2nnc(-c3ccccc3)n2)n1)N1CCN(Cc2cccc(F)c2F)CC1.
What is the InChIKey of [4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone?
The InChIKey is KYATYMYGPAVKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N8O/c24-19-8-4-7-18(21(19)25)15-30-11-13-31(14-12-30)23(34)20-9-10-32(27-20)16-33-28-22(26-29-33)17-5-2-1-3-6-17/h1-10H,11-16H2.
What are the key properties of [4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone?
[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone has a molecular weight of 464.48 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone is sourced from PubChem (CID 19472610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).