N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide

C17H21N3O2 — CID 111110498

IUPACN-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2(O)CCCc3ccccc32)nn1C
InChIInChI=1S/C17H21N3O2/c1-12-10-15(19-20(12)2)16(21)18-11-17(22)9-5-7-13-6-3-4-8-14(13)17/h3-4,6,8,10,22H,5,7,9,11H2,1-2H3,(H,18,21)
InChIKeyJJWRGGFQVBRVQJ-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.68
Rot. Bonds3

About N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide

N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 111110498) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID111110498
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2(O)CCCc3ccccc32)nn1C
InChIInChI=1S/C17H21N3O2/c1-12-10-15(19-20(12)2)16(21)18-11-17(22)9-5-7-13-6-3-4-8-14(13)17/h3-4,6,8,10,22H,5,7,9,11H2,1-2H3,(H,18,21)
InChIKeyJJWRGGFQVBRVQJ-UHFFFAOYSA-N
XLogP1.68
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 113236280
2-fluoro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4-methylbenzamide
CID 111780826
N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 95177201
1-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 111110415
1-[[(1,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120543687
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 111110472
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3,5-dimethylbenzamide
CID 90498997
2-fluoro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]pyridine-4-carboxamide
CID 111110496
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide
CID 111110665
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide
CID 111540492
N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2,3-dimethoxybenzamide
CID 95177159
4-ethoxy-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-methylbenzamide
CID 86939098

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide (CID 111110498) is N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NCC2(O)CCCc3ccccc32)nn1C.
What is the InChIKey of N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is JJWRGGFQVBRVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-10-15(19-20(12)2)16(21)18-11-17(22)9-5-7-13-6-3-4-8-14(13)17/h3-4,6,8,10,22H,5,7,9,11H2,1-2H3,(H,18,21).
What are the key properties of N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide?
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 111110498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).