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

C19H23FN6 — CID 56750018

IUPAC1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
SMILESCCn1ncnc1CN1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1
InChIInChI=1S/C19H23FN6/c1-2-26-18(21-13-23-26)12-25-8-6-14(7-9-25)19-17(11-22-24-19)15-4-3-5-16(20)10-15/h3-5,10-11,13-14H,2,6-9,12H2,1H3,(H,22,24)
InChIKeyGGZLCAVFTXMQLM-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.21
Rot. Bonds5

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

1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine (PubChem CID 56750018) has the molecular formula C19H23FN6 and a molecular weight of 354.43 g/mol. Its IUPAC name is 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
PubChem CID56750018
Molecular FormulaC19H23FN6
Molecular Weight354.43 g/mol
Exact Mass354.20
IUPAC Name1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
SMILESCCn1ncnc1CN1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1
InChIInChI=1S/C19H23FN6/c1-2-26-18(21-13-23-26)12-25-8-6-14(7-9-25)19-17(11-22-24-19)15-4-3-5-16(20)10-15/h3-5,10-11,13-14H,2,6-9,12H2,1H3,(H,22,24)
InChIKeyGGZLCAVFTXMQLM-UHFFFAOYSA-N
XLogP3.21
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 42479344
4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine
CID 42431676
1-[(4-ethoxyphenyl)methyl]-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 45167805
(3S)-1-(2,2-dimethylpropyl)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 26346642
1-ethyl-4-(4-phenyl-1H-pyrazol-5-yl)piperidine
CID 70765763
1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 56720943
(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 42273036
(2,6-dihydroxyphenyl)-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 56752335
3-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-propan-2-yl-1,2,4-oxadiazole
CID 56749676
(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 28667611
6-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 56742493
2-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 56742491

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine (CID 56750018) is 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine is CCn1ncnc1CN1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1.
What is the InChIKey of 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is GGZLCAVFTXMQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6/c1-2-26-18(21-13-23-26)12-25-8-6-14(7-9-25)19-17(11-22-24-19)15-4-3-5-16(20)10-15/h3-5,10-11,13-14H,2,6-9,12H2,1H3,(H,22,24).
What are the key properties of 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine?
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 354.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 56750018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).