7-hydroxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide

C16H19N3O3 — CID 136567619

IUPAC7-hydroxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1nn(C)cc1CNC(=O)C1CCc2cccc(O)c21
InChIInChI=1S/C16H19N3O3/c1-19-9-11(16(18-19)22-2)8-17-15(21)12-7-6-10-4-3-5-13(20)14(10)12/h3-5,9,12,20H,6-8H2,1-2H3,(H,17,21)
InChIKeyUZLOKAOFVZOEMN-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.48
Rot. Bonds4

About 7-hydroxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide

7-hydroxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 136567619) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 7-hydroxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound Name7-hydroxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID136567619
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name7-hydroxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1nn(C)cc1CNC(=O)C1CCc2cccc(O)c21
InChIInChI=1S/C16H19N3O3/c1-19-9-11(16(18-19)22-2)8-17-15(21)12-7-6-10-4-3-5-13(20)14(10)12/h3-5,9,12,20H,6-8H2,1-2H3,(H,17,21)
InChIKeyUZLOKAOFVZOEMN-UHFFFAOYSA-N
XLogP1.48
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isochromene-1-carboxamide
CID 136567630
7-hydroxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide
CID 136565869
N-[(5-bromopyrimidin-2-yl)methyl]-7-hydroxy-2,3-dihydro-1H-indene-1-carboxamide
CID 136567536
7-hydroxy-N-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide
CID 138037761
3-hydroxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-1-phenylcyclobutane-1-carboxamide
CID 136587679
4-cyclopentyl-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]morpholine-3-carboxamide
CID 136567627
N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide
CID 167794133
(1S)-7-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 124547289
(1S,3R,4R)-3-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxycyclohexane-1-carboxamide
CID 155498362
2-[(3-methoxy-1-methylpyrazol-4-yl)methylamino]-2-thiophen-2-ylacetic acid
CID 166263763
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide
CID 119065873
(1R)-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide
CID 126425312

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of 7-hydroxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide (CID 136567619) is 7-hydroxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for 7-hydroxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for 7-hydroxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide is COc1nn(C)cc1CNC(=O)C1CCc2cccc(O)c21.
What is the InChIKey of 7-hydroxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is UZLOKAOFVZOEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-19-9-11(16(18-19)22-2)8-17-15(21)12-7-6-10-4-3-5-13(20)14(10)12/h3-5,9,12,20H,6-8H2,1-2H3,(H,17,21).
What are the key properties of 7-hydroxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide?
7-hydroxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 136567619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).