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

C17H21N3O3 — CID 71803547

IUPACN-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCC1(O)CCc2ccccc2C1
InChIInChI=1S/C17H21N3O3/c1-20-10-14(16(19-20)23-2)15(21)18-11-17(22)8-7-12-5-3-4-6-13(12)9-17/h3-6,10,22H,7-9,11H2,1-2H3,(H,18,21)
InChIKeyOJXHATACUYKTPT-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.08
Rot. Bonds4

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

N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 71803547) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID71803547
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCC1(O)CCc2ccccc2C1
InChIInChI=1S/C17H21N3O3/c1-20-10-14(16(19-20)23-2)15(21)18-11-17(22)8-7-12-5-3-4-6-13(12)9-17/h3-6,10,22H,7-9,11H2,1-2H3,(H,18,21)
InChIKeyOJXHATACUYKTPT-UHFFFAOYSA-N
XLogP1.08
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide
CID 56765434
3-methoxy-N-(2-methoxy-2-(o-tolyl)ethyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 71810469
N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide
CID 90599086
N-(isochroman-3-ylmethyl)-3-methoxy-N,1-dimethyl-1H-pyrazole-4-carboxamide
CID 91626575
N-[(S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-3-methoxy-1-methyl-4-pyrazolecarboxamide
CID 95379360
N-{[(S)-4-hydroxy-4-chromanyl]methyl}-3-methoxy-1-methyl-4-pyrazolecarboxamide
CID 95984820
N-[(S)-3-hydroxy-3-(1-naphthyl)propyl]-3-methoxy-1-methyl-4-pyrazolecarboxamide
CID 96350664
N-[(R)-2-methoxy-2-(o-tolyl)ethyl]-3-methoxy-1-methyl-4-pyrazolecarboxamide
CID 97417658
N-{[(S)-1-hydroxy-6-methoxy-1,2,3,4-tetrahydro-1-naphthyl]methyl}-3-methoxy-1-methyl-4-pyrazolecarboxamide
CID 100730912
N-[4-(3-fluorophenyl)-4-hydroxycyclohexyl]-5-methoxy-1-methylpyrazole-4-carboxamide
CID 137996980
N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide
CID 90622918
N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 95368159

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-methoxy-1-methylpyrazole-4-carboxamide (CID 71803547) is N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-methoxy-1-methylpyrazole-4-carboxamide is COc1nn(C)cc1C(=O)NCC1(O)CCc2ccccc2C1.
What is the InChIKey of N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is OJXHATACUYKTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-20-10-14(16(19-20)23-2)15(21)18-11-17(22)8-7-12-5-3-4-6-13(12)9-17/h3-6,10,22H,7-9,11H2,1-2H3,(H,18,21).
What are the key properties of N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 71803547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).