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

C20H25FN6 — CID 74231498

IUPAC1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
SMILESCc1nc(C2CCN(Cc3c(C)nn(-c4ccc(F)cc4)c3C)CC2)n[nH]1
InChIInChI=1S/C20H25FN6/c1-13-19(14(2)27(25-13)18-6-4-17(21)5-7-18)12-26-10-8-16(9-11-26)20-22-15(3)23-24-20/h4-7,16H,8-12H2,1-3H3,(H,22,23,24)
InChIKeyJPBLVXMXBDQBPL-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.43
Rot. Bonds4

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

1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine (PubChem CID 74231498) has the molecular formula C20H25FN6 and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
PubChem CID74231498
Molecular FormulaC20H25FN6
Molecular Weight368.46 g/mol
Exact Mass368.21
IUPAC Name1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
SMILESCc1nc(C2CCN(Cc3c(C)nn(-c4ccc(F)cc4)c3C)CC2)n[nH]1
InChIInChI=1S/C20H25FN6/c1-13-19(14(2)27(25-13)18-6-4-17(21)5-7-18)12-26-10-8-16(9-11-26)20-22-15(3)23-24-20/h4-7,16H,8-12H2,1-3H3,(H,22,23,24)
InChIKeyJPBLVXMXBDQBPL-UHFFFAOYSA-N
XLogP3.43
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-[(4-methylpiperidin-1-yl)methyl]aniline
CID 46951838
[1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120781124
2-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane
CID 120907365
(2R)-1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-2-carboxamide
CID 97332136
(2S)-1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-2-carboxamide
CID 97332137
2-[2-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 77088349
2-[4-[(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine
CID 59321922
(E)-1-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one
CID 19331528
(3aS,4S,7aR)-4-ethyl-2-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3,3a,5,6,7,7a-hexahydro-1H-isoindol-4-ol
CID 163315930
2-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol
CID 110880028
4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 74231613
(6S)-2-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-8-methyl-2,8-diazaspiro[5.6]dodec-10-en-7-one
CID 125006927

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine (CID 74231498) is 1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine is Cc1nc(C2CCN(Cc3c(C)nn(-c4ccc(F)cc4)c3C)CC2)n[nH]1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine?
The InChIKey is JPBLVXMXBDQBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN6/c1-13-19(14(2)27(25-13)18-6-4-17(21)5-7-18)12-26-10-8-16(9-11-26)20-22-15(3)23-24-20/h4-7,16H,8-12H2,1-3H3,(H,22,23,24).
What are the key properties of 1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine?
1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine has a molecular weight of 368.46 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 74231498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).