4-[1-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]benzamide

C29H30N4O2 — CID 138740322

IUPAC4-[1-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2cc(-c3ccc(OCCN4CCCCC4)cc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C29H30N4O2/c30-29(34)24-11-9-23(10-12-24)28-21-27(31-33(28)25-7-3-1-4-8-25)22-13-15-26(16-14-22)35-20-19-32-17-5-2-6-18-32/h1,3-4,7-16,21H,2,5-6,17-20H2,(H2,30,34)
InChIKeyOGIPKQZNAWIJSV-UHFFFAOYSA-N
MW466.59 g/mol
LogP5.17
Rot. Bonds8

About 4-[1-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]benzamide

4-[1-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]benzamide (PubChem CID 138740322) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is 4-[1-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]benzamide.

Molecular Properties

Compound Name4-[1-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]benzamide
PubChem CID138740322
Molecular FormulaC29H30N4O2
Molecular Weight466.59 g/mol
Exact Mass466.24
IUPAC Name4-[1-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2cc(-c3ccc(OCCN4CCCCC4)cc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C29H30N4O2/c30-29(34)24-11-9-23(10-12-24)28-21-27(31-33(28)25-7-3-1-4-8-25)22-13-15-26(16-14-22)35-20-19-32-17-5-2-6-18-32/h1,3-4,7-16,21H,2,5-6,17-20H2,(H2,30,34)
InChIKeyOGIPKQZNAWIJSV-UHFFFAOYSA-N
XLogP5.17
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.59
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol
CID 138740459
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
3-[1-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol
CID 138740945
4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22137456
1-[3-[4-[1,3-bis(4-methoxyphenyl)pyrazol-5-yl]phenoxy]propyl]piperidine
CID 138740460
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
4-(3-pyrrolidin-1-ylpropoxy)benzamide
CID 91431700
4-[5-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-3-yl]benzamide
CID 45273800
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
N-(4-butoxyphenyl)-4-(3,5-diphenylpyrazol-1-yl)benzamide
CID 4862276
[4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]naphthalen-2-yl]methanone
CID 10840369

Frequently Asked Questions

What is the IUPAC name of 4-[1-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]benzamide?
The IUPAC name of 4-[1-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]benzamide (CID 138740322) is 4-[1-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]benzamide.
What is the SMILES notation for 4-[1-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]benzamide?
The canonical SMILES for 4-[1-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]benzamide is NC(=O)c1ccc(-c2cc(-c3ccc(OCCN4CCCCC4)cc3)nn2-c2ccccc2)cc1.
What is the InChIKey of 4-[1-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]benzamide?
The InChIKey is OGIPKQZNAWIJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2/c30-29(34)24-11-9-23(10-12-24)28-21-27(31-33(28)25-7-3-1-4-8-25)22-13-15-26(16-14-22)35-20-19-32-17-5-2-6-18-32/h1,3-4,7-16,21H,2,5-6,17-20H2,(H2,30,34).
What are the key properties of 4-[1-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]benzamide?
4-[1-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]benzamide has a molecular weight of 466.59 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]benzamide is sourced from PubChem (CID 138740322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).