1-hydroxy-N-methyl-N-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C17H21N3O2 — CID 136530564

IUPAC1-hydroxy-N-methyl-N-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCN(CCn1cccn1)C(=O)c1ccc2c(c1O)CCCC2
InChIInChI=1S/C17H21N3O2/c1-19(11-12-20-10-4-9-18-20)17(22)15-8-7-13-5-2-3-6-14(13)16(15)21/h4,7-10,21H,2-3,5-6,11-12H2,1H3
InChIKeyKGPBLXNQOOOWOX-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.24
Rot. Bonds4

About 1-hydroxy-N-methyl-N-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

1-hydroxy-N-methyl-N-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 136530564) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-hydroxy-N-methyl-N-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-methyl-N-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID136530564
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-hydroxy-N-methyl-N-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCN(CCn1cccn1)C(=O)c1ccc2c(c1O)CCCC2
InChIInChI=1S/C17H21N3O2/c1-19(11-12-20-10-4-9-18-20)17(22)15-8-7-13-5-2-3-6-14(13)16(15)21/h4,7-10,21H,2-3,5-6,11-12H2,1H3
InChIKeyKGPBLXNQOOOWOX-UHFFFAOYSA-N
XLogP2.24
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-methyl-N-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of 1-hydroxy-N-methyl-N-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 136530564) is 1-hydroxy-N-methyl-N-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for 1-hydroxy-N-methyl-N-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for 1-hydroxy-N-methyl-N-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CN(CCn1cccn1)C(=O)c1ccc2c(c1O)CCCC2.
What is the InChIKey of 1-hydroxy-N-methyl-N-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is KGPBLXNQOOOWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-19(11-12-20-10-4-9-18-20)17(22)15-8-7-13-5-2-3-6-14(13)16(15)21/h4,7-10,21H,2-3,5-6,11-12H2,1H3.
What are the key properties of 1-hydroxy-N-methyl-N-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
1-hydroxy-N-methyl-N-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-methyl-N-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 136530564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).