N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C18H23N3O — CID 91782128

IUPACN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCCn1ncc(CNC(=O)C2CCc3ccccc3C2)c1C
InChIInChI=1S/C18H23N3O/c1-3-21-13(2)17(12-20-21)11-19-18(22)16-9-8-14-6-4-5-7-15(14)10-16/h4-7,12,16H,3,8-11H2,1-2H3,(H,19,22)
InChIKeyFTDFQXPIVSJOJN-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.63
Rot. Bonds4

About N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 91782128) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID91782128
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCCn1ncc(CNC(=O)C2CCc3ccccc3C2)c1C
InChIInChI=1S/C18H23N3O/c1-3-21-13(2)17(12-20-21)11-19-18(22)16-9-8-14-6-4-5-7-15(14)10-16/h4-7,12,16H,3,8-11H2,1-2H3,(H,19,22)
InChIKeyFTDFQXPIVSJOJN-UHFFFAOYSA-N
XLogP2.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126936
cis-(1R,2S)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 1257858
(3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97279541
N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 90649040
N-[(3-propyl-1,2-oxazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 91784738
N-(pyrimidin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 45194172
methyl 4-[(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)methyl]benzoate
CID 51355167
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 104931831
ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 143214414
N-[(2-hydroxyphenyl)methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106703935
N-(3-chloropentyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127772
N-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126680

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 91782128) is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is CCn1ncc(CNC(=O)C2CCc3ccccc3C2)c1C.
What is the InChIKey of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is FTDFQXPIVSJOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-3-21-13(2)17(12-20-21)11-19-18(22)16-9-8-14-6-4-5-7-15(14)10-16/h4-7,12,16H,3,8-11H2,1-2H3,(H,19,22).
What are the key properties of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 91782128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).