[1-[3-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methylamino]propyl]piperidin-2-yl]methanol

C26H34N4O2 — CID 56852816

IUPAC[1-[3-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methylamino]propyl]piperidin-2-yl]methanol
SMILESCOc1cccc(-c2nn(-c3ccccc3)cc2CNCCCN2CCCCC2CO)c1
InChIInChI=1S/C26H34N4O2/c1-32-25-13-7-9-21(17-25)26-22(19-30(28-26)23-10-3-2-4-11-23)18-27-14-8-16-29-15-6-5-12-24(29)20-31/h2-4,7,9-11,13,17,19,24,27,31H,5-6,8,12,14-16,18,20H2,1H3
InChIKeyTUIQMTCZBYPNIQ-UHFFFAOYSA-N
MW434.58 g/mol
LogP3.87
Rot. Bonds10

About [1-[3-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methylamino]propyl]piperidin-2-yl]methanol

[1-[3-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methylamino]propyl]piperidin-2-yl]methanol (PubChem CID 56852816) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is [1-[3-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methylamino]propyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methylamino]propyl]piperidin-2-yl]methanol
PubChem CID56852816
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name[1-[3-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methylamino]propyl]piperidin-2-yl]methanol
SMILESCOc1cccc(-c2nn(-c3ccccc3)cc2CNCCCN2CCCCC2CO)c1
InChIInChI=1S/C26H34N4O2/c1-32-25-13-7-9-21(17-25)26-22(19-30(28-26)23-10-3-2-4-11-23)18-27-14-8-16-29-15-6-5-12-24(29)20-31/h2-4,7,9-11,13,17,19,24,27,31H,5-6,8,12,14-16,18,20H2,1H3
InChIKeyTUIQMTCZBYPNIQ-UHFFFAOYSA-N
XLogP3.87
TPSA62.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-4-carboxamide
CID 42473482
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 119109290
(3R)-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 26406111
[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 112793080
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 70770906
2-[ethyl-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]ethanol
CID 26392310
N-(3-hydroxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 78795829
(3S)-1-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124693422
N-[3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propyl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 26327679
N-[[3-(6-methoxynaphthalen-2-yl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine
CID 1290486
N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-phenylethanamine
CID 4792477
[2-(cyclopentylamino)-2-oxoethyl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 2357802

Frequently Asked Questions

What is the IUPAC name of [1-[3-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methylamino]propyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[3-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methylamino]propyl]piperidin-2-yl]methanol (CID 56852816) is [1-[3-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methylamino]propyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[3-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methylamino]propyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[3-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methylamino]propyl]piperidin-2-yl]methanol is COc1cccc(-c2nn(-c3ccccc3)cc2CNCCCN2CCCCC2CO)c1.
What is the InChIKey of [1-[3-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methylamino]propyl]piperidin-2-yl]methanol?
The InChIKey is TUIQMTCZBYPNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-32-25-13-7-9-21(17-25)26-22(19-30(28-26)23-10-3-2-4-11-23)18-27-14-8-16-29-15-6-5-12-24(29)20-31/h2-4,7,9-11,13,17,19,24,27,31H,5-6,8,12,14-16,18,20H2,1H3.
What are the key properties of [1-[3-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methylamino]propyl]piperidin-2-yl]methanol?
[1-[3-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methylamino]propyl]piperidin-2-yl]methanol has a molecular weight of 434.58 g/mol, XLogP of 3.87, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methylamino]propyl]piperidin-2-yl]methanol is sourced from PubChem (CID 56852816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).