(4-hydroxy-1-phenylpyrazol-3-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone

C17H22N4O2 — CID 119542663

IUPAC(4-hydroxy-1-phenylpyrazol-3-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2nn(-c3ccccc3)cc2O)CC1
InChIInChI=1S/C17H22N4O2/c1-18-11-13-7-9-20(10-8-13)17(23)16-15(22)12-21(19-16)14-5-3-2-4-6-14/h2-6,12-13,18,22H,7-11H2,1H3
InChIKeyBQLVFJFOOOTVMJ-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.65
Rot. Bonds4

About (4-hydroxy-1-phenylpyrazol-3-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone

(4-hydroxy-1-phenylpyrazol-3-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 119542663) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (4-hydroxy-1-phenylpyrazol-3-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-hydroxy-1-phenylpyrazol-3-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID119542663
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(4-hydroxy-1-phenylpyrazol-3-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2nn(-c3ccccc3)cc2O)CC1
InChIInChI=1S/C17H22N4O2/c1-18-11-13-7-9-20(10-8-13)17(23)16-15(22)12-21(19-16)14-5-3-2-4-6-14/h2-6,12-13,18,22H,7-11H2,1H3
InChIKeyBQLVFJFOOOTVMJ-UHFFFAOYSA-N
XLogP1.65
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119545926
(4-hydroxy-1-phenylpyrazol-3-yl)-(4-phenylazepan-1-yl)methanone
CID 126788191
[3-(methylaminomethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 119540836
[4-(3-aminopropoxy)piperidin-1-yl]-(4-hydroxy-1-phenylpyrazol-3-yl)methanone;hydrochloride
CID 119661589
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
(1,3-diphenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119538902
[4-(ethylaminomethyl)piperidin-1-yl]-[4-(2-methylpropoxy)-1-phenylpyrazol-3-yl]methanone;hydrochloride
CID 119647294
(3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119542802
(4-hydroxy-1-phenylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119576249
[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540012
N,N-diethyl-4-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]piperidine-1-carboxamide
CID 46471859
[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124613068

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-1-phenylpyrazol-3-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-hydroxy-1-phenylpyrazol-3-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone (CID 119542663) is (4-hydroxy-1-phenylpyrazol-3-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-hydroxy-1-phenylpyrazol-3-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-hydroxy-1-phenylpyrazol-3-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCN(C(=O)c2nn(-c3ccccc3)cc2O)CC1.
What is the InChIKey of (4-hydroxy-1-phenylpyrazol-3-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is BQLVFJFOOOTVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-18-11-13-7-9-20(10-8-13)17(23)16-15(22)12-21(19-16)14-5-3-2-4-6-14/h2-6,12-13,18,22H,7-11H2,1H3.
What are the key properties of (4-hydroxy-1-phenylpyrazol-3-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
(4-hydroxy-1-phenylpyrazol-3-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 314.39 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-1-phenylpyrazol-3-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119542663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).