N-[2-[(4S)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C17H21N3O2 — CID 98171882

IUPACN-[2-[(4S)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCC1=NNC(=O)[C@H]1CCNC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H21N3O2/c1-11-15(17(22)20-19-11)8-9-18-16(21)14-7-6-12-4-2-3-5-13(12)10-14/h6-7,10,15H,2-5,8-9H2,1H3,(H,18,21)(H,20,22)/t15-/m0/s1
InChIKeyAKENWVPOKNHVTA-HNNXBMFYSA-N
MW299.37 g/mol
LogP1.81
Rot. Bonds4

About N-[2-[(4S)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-[2-[(4S)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 98171882) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[2-[(4S)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4S)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID98171882
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[2-[(4S)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCC1=NNC(=O)[C@H]1CCNC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H21N3O2/c1-11-15(17(22)20-19-11)8-9-18-16(21)14-7-6-12-4-2-3-5-13(12)10-14/h6-7,10,15H,2-5,8-9H2,1H3,(H,18,21)(H,20,22)/t15-/m0/s1
InChIKeyAKENWVPOKNHVTA-HNNXBMFYSA-N
XLogP1.81
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylsulfonylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60545524
N-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride
CID 119382194
N-(2-cyclopentylsulfanylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100706753
N-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95903042
N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 90651661
N-[2-[(3R)-oxan-3-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 125434835
3-(2,3-dihydro-1H-indene-5-carbonylamino)propanoic acid
CID 18071901
N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 136538177
N-(5-hydroxy-4-methylpentyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 103861739
N-[3-(3-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 84533264
N-[2-oxo-2-(propan-2-ylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9300971
N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95166108

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4S)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[2-[(4S)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 98171882) is N-[2-[(4S)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-[(4S)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[2-[(4S)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CC1=NNC(=O)[C@H]1CCNC(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[2-[(4S)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is AKENWVPOKNHVTA-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11-15(17(22)20-19-11)8-9-18-16(21)14-7-6-12-4-2-3-5-13(12)10-14/h6-7,10,15H,2-5,8-9H2,1H3,(H,18,21)(H,20,22)/t15-/m0/s1.
What are the key properties of N-[2-[(4S)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-[2-[(4S)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4S)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 98171882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).