N-[2-(1-phenylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C22H23N3O — CID 16613811

IUPACN-[2-(1-phenylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCCc1cnn(-c2ccccc2)c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H23N3O/c26-22(20-11-10-18-6-4-5-7-19(18)14-20)23-13-12-17-15-24-25(16-17)21-8-2-1-3-9-21/h1-3,8-11,14-16H,4-7,12-13H2,(H,23,26)
InChIKeyXVLOZAGNSZXZTB-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.72
Rot. Bonds5

About N-[2-(1-phenylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-[2-(1-phenylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 16613811) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[2-(1-phenylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-phenylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID16613811
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-[2-(1-phenylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCCc1cnn(-c2ccccc2)c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H23N3O/c26-22(20-11-10-18-6-4-5-7-19(18)14-20)23-13-12-17-15-24-25(16-17)21-8-2-1-3-9-21/h1-3,8-11,14-16H,4-7,12-13H2,(H,23,26)
InChIKeyXVLOZAGNSZXZTB-UHFFFAOYSA-N
XLogP3.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide
CID 134000714
2-methyl-1,3-dioxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]isoindole-5-carboxamide
CID 55517644
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 46639050
6-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 16613764
3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 134000530
N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
CID 134000509
N-(2-pyridin-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 24661254
N-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide
CID 16613868
3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 131935956
N-[2-(1-phenylpyrazol-4-yl)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 47045068
3-(benzylsulfamoyl)-4-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 55505346
3-chloro-N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
CID 55504998

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-phenylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[2-(1-phenylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 16613811) is N-[2-(1-phenylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(1-phenylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[2-(1-phenylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is O=C(NCCc1cnn(-c2ccccc2)c1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[2-(1-phenylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is XVLOZAGNSZXZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c26-22(20-11-10-18-6-4-5-7-19(18)14-20)23-13-12-17-15-24-25(16-17)21-8-2-1-3-9-21/h1-3,8-11,14-16H,4-7,12-13H2,(H,23,26).
What are the key properties of N-[2-(1-phenylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-[2-(1-phenylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-phenylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 16613811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).