2-[(1,3-diphenylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)tetrazole

C23H17FN6 — CID 7716290

IUPAC2-[(1,3-diphenylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)tetrazole
SMILESFc1ccc(-c2nnn(Cc3cn(-c4ccccc4)nc3-c3ccccc3)n2)cc1
InChIInChI=1S/C23H17FN6/c24-20-13-11-18(12-14-20)23-25-28-30(27-23)16-19-15-29(21-9-5-2-6-10-21)26-22(19)17-7-3-1-4-8-17/h1-15H,16H2
InChIKeyXSADTCISXWIBNA-UHFFFAOYSA-N
MW396.43 g/mol
LogP4.38
Rot. Bonds5

About 2-[(1,3-diphenylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)tetrazole

2-[(1,3-diphenylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)tetrazole (PubChem CID 7716290) has the molecular formula C23H17FN6 and a molecular weight of 396.43 g/mol. Its IUPAC name is 2-[(1,3-diphenylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)tetrazole.

Molecular Properties

Compound Name2-[(1,3-diphenylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)tetrazole
PubChem CID7716290
Molecular FormulaC23H17FN6
Molecular Weight396.43 g/mol
Exact Mass396.15
IUPAC Name2-[(1,3-diphenylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)tetrazole
SMILESFc1ccc(-c2nnn(Cc3cn(-c4ccccc4)nc3-c3ccccc3)n2)cc1
InChIInChI=1S/C23H17FN6/c24-20-13-11-18(12-14-20)23-25-28-30(27-23)16-19-15-29(21-9-5-2-6-10-21)26-22(19)17-7-3-1-4-8-17/h1-15H,16H2
InChIKeyXSADTCISXWIBNA-UHFFFAOYSA-N
XLogP4.38
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine
CID 120909299
3-(4-fluorophenyl)-1-phenylpyrazol-4-amine
CID 2104091
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-thiophen-3-ylmethanamine
CID 26690499
(1S)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-1-phenylethanol
CID 51923545
[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl 2-fluorobenzoate
CID 4661548
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-fluoro-N-methylbenzamide
CID 18209870
1-cyclopentyl-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]guanidine
CID 47086560
4-fluoro-N-[2-(5-phenyltetrazol-2-yl)ethyl]aniline
CID 62563128
[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine
CID 28910918
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-6-methylpyridine-3-carboxamide
CID 46511717
N-[1-(aminomethyl)cyclopentyl]-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]acetamide
CID 119566079
4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline
CID 1463675

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-diphenylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)tetrazole?
The IUPAC name of 2-[(1,3-diphenylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)tetrazole (CID 7716290) is 2-[(1,3-diphenylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)tetrazole.
What is the SMILES notation for 2-[(1,3-diphenylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)tetrazole?
The canonical SMILES for 2-[(1,3-diphenylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)tetrazole is Fc1ccc(-c2nnn(Cc3cn(-c4ccccc4)nc3-c3ccccc3)n2)cc1.
What is the InChIKey of 2-[(1,3-diphenylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)tetrazole?
The InChIKey is XSADTCISXWIBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN6/c24-20-13-11-18(12-14-20)23-25-28-30(27-23)16-19-15-29(21-9-5-2-6-10-21)26-22(19)17-7-3-1-4-8-17/h1-15H,16H2.
What are the key properties of 2-[(1,3-diphenylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)tetrazole?
2-[(1,3-diphenylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)tetrazole has a molecular weight of 396.43 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-diphenylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)tetrazole is sourced from PubChem (CID 7716290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).