1-[2-[3-hydroxy-4-(4-phenyl-1H-pyrazol-5-yl)phenoxy]ethyl]piperidine-4-carboxamide

C23H26N4O3 — CID 135652670

IUPAC1-[2-[3-hydroxy-4-(4-phenyl-1H-pyrazol-5-yl)phenoxy]ethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCOc2ccc(-c3[nH]ncc3-c3ccccc3)c(O)c2)CC1
InChIInChI=1S/C23H26N4O3/c24-23(29)17-8-10-27(11-9-17)12-13-30-18-6-7-19(21(28)14-18)22-20(15-25-26-22)16-4-2-1-3-5-16/h1-7,14-15,17,28H,8-13H2,(H2,24,29)(H,25,26)
InChIKeyPYIQTHALSLWYHD-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.03
Rot. Bonds7

About 1-[2-[3-hydroxy-4-(4-phenyl-1H-pyrazol-5-yl)phenoxy]ethyl]piperidine-4-carboxamide

1-[2-[3-hydroxy-4-(4-phenyl-1H-pyrazol-5-yl)phenoxy]ethyl]piperidine-4-carboxamide (PubChem CID 135652670) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-[2-[3-hydroxy-4-(4-phenyl-1H-pyrazol-5-yl)phenoxy]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[3-hydroxy-4-(4-phenyl-1H-pyrazol-5-yl)phenoxy]ethyl]piperidine-4-carboxamide
PubChem CID135652670
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name1-[2-[3-hydroxy-4-(4-phenyl-1H-pyrazol-5-yl)phenoxy]ethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCOc2ccc(-c3[nH]ncc3-c3ccccc3)c(O)c2)CC1
InChIInChI=1S/C23H26N4O3/c24-23(29)17-8-10-27(11-9-17)12-13-30-18-6-7-19(21(28)14-18)22-20(15-25-26-22)16-4-2-1-3-5-16/h1-7,14-15,17,28H,8-13H2,(H2,24,29)(H,25,26)
InChIKeyPYIQTHALSLWYHD-UHFFFAOYSA-N
XLogP3.03
TPSA104.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-methoxyphenyl)-1H-pyrazol-3-yl]benzene-1,3-diol
CID 947289
5-methoxy-2-[4-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenol
CID 945537
5-Ethoxy-2-(4-phenyl-1H-pyrazol-3-YL)phenol
CID 764775
2-{3-hydroxy-4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenoxy}acetohydrazide
CID 1402084
2-(3-hydroxy-4-(4-(4-methoxyphenyl)-1H-pyrazol-3-yl)phenoxy)acetohydrazide
CID 135577748
4-(4-(3-methoxyphenoxy)-1H-pyrazol-3-yl)benzene-1,3-diol
CID 664079
(6E)-6-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-dihydropyrazol-3-ylidene]-3-methoxycyclohexa-2,4-dien-1-one
CID 657457
(4E)-3-hydroxy-4-[4-(4-propylphenoxy)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,5-dien-1-one
CID 764683
4-(4-(2-methoxyphenyl)-1H-pyrazol-3-yl)benzene-1,3-diol
CID 944106
4-ethyl-6-(4-phenoxy-1H-pyrazol-3-yl)-1,3-Benzenediol
CID 854652
2-(3-hydroxy-4-(4-(3-methoxyphenoxy)-1H-pyrazol-3-yl)phenoxy)acetohydrazide
CID 1414734
1-(2-(4-(4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl)-3-hydroxyphenoxy)ethyl)piperidine-4-carboxamide
CID 135652656

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-hydroxy-4-(4-phenyl-1H-pyrazol-5-yl)phenoxy]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[3-hydroxy-4-(4-phenyl-1H-pyrazol-5-yl)phenoxy]ethyl]piperidine-4-carboxamide (CID 135652670) is 1-[2-[3-hydroxy-4-(4-phenyl-1H-pyrazol-5-yl)phenoxy]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[3-hydroxy-4-(4-phenyl-1H-pyrazol-5-yl)phenoxy]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[3-hydroxy-4-(4-phenyl-1H-pyrazol-5-yl)phenoxy]ethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CCOc2ccc(-c3[nH]ncc3-c3ccccc3)c(O)c2)CC1.
What is the InChIKey of 1-[2-[3-hydroxy-4-(4-phenyl-1H-pyrazol-5-yl)phenoxy]ethyl]piperidine-4-carboxamide?
The InChIKey is PYIQTHALSLWYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c24-23(29)17-8-10-27(11-9-17)12-13-30-18-6-7-19(21(28)14-18)22-20(15-25-26-22)16-4-2-1-3-5-16/h1-7,14-15,17,28H,8-13H2,(H2,24,29)(H,25,26).
What are the key properties of 1-[2-[3-hydroxy-4-(4-phenyl-1H-pyrazol-5-yl)phenoxy]ethyl]piperidine-4-carboxamide?
1-[2-[3-hydroxy-4-(4-phenyl-1H-pyrazol-5-yl)phenoxy]ethyl]piperidine-4-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.03, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-hydroxy-4-(4-phenyl-1H-pyrazol-5-yl)phenoxy]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 135652670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).