(3S)-3-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]triazol-4-yl]piperidine

C18H22N6O — CID 97206014

IUPAC(3S)-3-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]triazol-4-yl]piperidine
SMILESCOc1ccc(-c2[nH]ncc2Cn2cc([C@H]3CCCNC3)nn2)cc1
InChIInChI=1S/C18H22N6O/c1-25-16-6-4-13(5-7-16)18-15(10-20-22-18)11-24-12-17(21-23-24)14-3-2-8-19-9-14/h4-7,10,12,14,19H,2-3,8-9,11H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyZUYNPGGLAMNTEA-AWEZNQCLSA-N
MW338.42 g/mol
LogP2.19
Rot. Bonds5

About (3S)-3-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]triazol-4-yl]piperidine

(3S)-3-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]triazol-4-yl]piperidine (PubChem CID 97206014) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is (3S)-3-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]triazol-4-yl]piperidine.

Molecular Properties

Compound Name(3S)-3-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]triazol-4-yl]piperidine
PubChem CID97206014
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name(3S)-3-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]triazol-4-yl]piperidine
SMILESCOc1ccc(-c2[nH]ncc2Cn2cc([C@H]3CCCNC3)nn2)cc1
InChIInChI=1S/C18H22N6O/c1-25-16-6-4-13(5-7-16)18-15(10-20-22-18)11-24-12-17(21-23-24)14-3-2-8-19-9-14/h4-7,10,12,14,19H,2-3,8-9,11H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyZUYNPGGLAMNTEA-AWEZNQCLSA-N
XLogP2.19
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidine
CID 82380463
1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine
CID 77083372
4-(4-methoxyphenyl)-5-piperidin-3-yl-1,2-oxazole
CID 115003500
2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907591
3-(4-methoxyphenyl)piperidine
CID 12937920
(8aR,11aS)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
CID 110201594
(3aR,6aR)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one;hydrochloride
CID 154922342
(3R,4R)-4-(azepan-1-yl)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-ol
CID 45241751
6-methoxy-2-pyrrolidin-3-ylimidazo[1,2-a]pyridine
CID 105471156
2-(4-methoxyphenyl)-4-piperidin-3-ylpyridine;hydrochloride
CID 118741830
(3aS,4S,7aR)-4-ethyl-2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3,3a,5,6,7,7a-hexahydro-1H-isoindol-4-ol
CID 163317280
7-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-oxa-7-azaspiro[3.5]nonane
CID 135106659

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]triazol-4-yl]piperidine?
The IUPAC name of (3S)-3-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]triazol-4-yl]piperidine (CID 97206014) is (3S)-3-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]triazol-4-yl]piperidine.
What is the SMILES notation for (3S)-3-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]triazol-4-yl]piperidine?
The canonical SMILES for (3S)-3-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]triazol-4-yl]piperidine is COc1ccc(-c2[nH]ncc2Cn2cc([C@H]3CCCNC3)nn2)cc1.
What is the InChIKey of (3S)-3-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]triazol-4-yl]piperidine?
The InChIKey is ZUYNPGGLAMNTEA-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N6O/c1-25-16-6-4-13(5-7-16)18-15(10-20-22-18)11-24-12-17(21-23-24)14-3-2-8-19-9-14/h4-7,10,12,14,19H,2-3,8-9,11H2,1H3,(H,20,22)/t14-/m0/s1.
What are the key properties of (3S)-3-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]triazol-4-yl]piperidine?
(3S)-3-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]triazol-4-yl]piperidine has a molecular weight of 338.42 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]triazol-4-yl]piperidine is sourced from PubChem (CID 97206014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).