[4-(1-hydroxyethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone

C18H23N3O3 — CID 111429739

IUPAC[4-(1-hydroxyethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
SMILESCOc1ccc(-n2ccc(C(=O)N3CCC(C(C)O)CC3)n2)cc1
InChIInChI=1S/C18H23N3O3/c1-13(22)14-7-10-20(11-8-14)18(23)17-9-12-21(19-17)15-3-5-16(24-2)6-4-15/h3-6,9,12-14,22H,7-8,10-11H2,1-2H3
InChIKeyWEIDIFZZWOFJDV-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.11
Rot. Bonds4

About [4-(1-hydroxyethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone

[4-(1-hydroxyethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone (PubChem CID 111429739) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is [4-(1-hydroxyethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(1-hydroxyethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
PubChem CID111429739
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name[4-(1-hydroxyethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
SMILESCOc1ccc(-n2ccc(C(=O)N3CCC(C(C)O)CC3)n2)cc1
InChIInChI=1S/C18H23N3O3/c1-13(22)14-7-10-20(11-8-14)18(23)17-9-12-21(19-17)15-3-5-16(24-2)6-4-15/h3-6,9,12-14,22H,7-8,10-11H2,1-2H3
InChIKeyWEIDIFZZWOFJDV-UHFFFAOYSA-N
XLogP2.11
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119519940
[1-(4-methoxyphenyl)pyrazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119545939
[1-(4-fluorophenyl)pyrazol-3-yl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023395
(3-aminopyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119482974
(3-amino-7-azaspiro[3.5]nonan-7-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
CID 154872028
[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
CID 166239498
[2-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119436927
[1-(3-fluorophenyl)pyrazol-3-yl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023506
(4-amino-2-methylpiperidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
CID 122149214
(2,2-dimethylpyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
CID 86768279
(2,4-dimethylpiperazin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
CID 71877262
[1-(4-methoxyphenyl)pyrazol-3-yl]-[(3R)-3-(2-morpholin-4-ylethoxy)pyrrolidin-1-yl]methanone
CID 97000310

Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxyethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone?
The IUPAC name of [4-(1-hydroxyethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone (CID 111429739) is [4-(1-hydroxyethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone.
What is the SMILES notation for [4-(1-hydroxyethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone?
The canonical SMILES for [4-(1-hydroxyethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone is COc1ccc(-n2ccc(C(=O)N3CCC(C(C)O)CC3)n2)cc1.
What is the InChIKey of [4-(1-hydroxyethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone?
The InChIKey is WEIDIFZZWOFJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13(22)14-7-10-20(11-8-14)18(23)17-9-12-21(19-17)15-3-5-16(24-2)6-4-15/h3-6,9,12-14,22H,7-8,10-11H2,1-2H3.
What are the key properties of [4-(1-hydroxyethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone?
[4-(1-hydroxyethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone has a molecular weight of 329.40 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxyethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 111429739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).