1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine

C19H23FN6 — CID 53192334

IUPAC1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine
SMILESCc1nn(C)cc1CN1CCC(c2nc(-c3ccc(F)cc3)n[nH]2)CC1
InChIInChI=1S/C19H23FN6/c1-13-16(11-25(2)24-13)12-26-9-7-15(8-10-26)19-21-18(22-23-19)14-3-5-17(20)6-4-14/h3-6,11,15H,7-10,12H2,1-2H3,(H,21,22,23)
InChIKeySBKXFXAAQUUITA-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.03
Rot. Bonds4

About 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine

1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine (PubChem CID 53192334) has the molecular formula C19H23FN6 and a molecular weight of 354.43 g/mol. Its IUPAC name is 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine.

Molecular Properties

Compound Name1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine
PubChem CID53192334
Molecular FormulaC19H23FN6
Molecular Weight354.43 g/mol
Exact Mass354.20
IUPAC Name1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine
SMILESCc1nn(C)cc1CN1CCC(c2nc(-c3ccc(F)cc3)n[nH]2)CC1
InChIInChI=1S/C19H23FN6/c1-13-16(11-25(2)24-13)12-26-9-7-15(8-10-26)19-21-18(22-23-19)14-3-5-17(20)6-4-14/h3-6,11,15H,7-10,12H2,1-2H3,(H,21,22,23)
InChIKeySBKXFXAAQUUITA-UHFFFAOYSA-N
XLogP3.03
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine?
The IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine (CID 53192334) is 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine.
What is the SMILES notation for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine?
The canonical SMILES for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine is Cc1nn(C)cc1CN1CCC(c2nc(-c3ccc(F)cc3)n[nH]2)CC1.
What is the InChIKey of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine?
The InChIKey is SBKXFXAAQUUITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6/c1-13-16(11-25(2)24-13)12-26-9-7-15(8-10-26)19-21-18(22-23-19)14-3-5-17(20)6-4-14/h3-6,11,15H,7-10,12H2,1-2H3,(H,21,22,23).
What are the key properties of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine?
1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine has a molecular weight of 354.43 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine is sourced from PubChem (CID 53192334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).