N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isochromene-1-carboxamide

C16H19N3O3 — CID 136567630

IUPACN-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESCOc1nn(C)cc1CNC(=O)C1OCCc2ccccc21
InChIInChI=1S/C16H19N3O3/c1-19-10-12(16(18-19)21-2)9-17-15(20)14-13-6-4-3-5-11(13)7-8-22-14/h3-6,10,14H,7-9H2,1-2H3,(H,17,20)
InChIKeyMNKGRAWJVIXMKL-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.36
Rot. Bonds4

About N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isochromene-1-carboxamide

N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isochromene-1-carboxamide (PubChem CID 136567630) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isochromene-1-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isochromene-1-carboxamide
PubChem CID136567630
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESCOc1nn(C)cc1CNC(=O)C1OCCc2ccccc21
InChIInChI=1S/C16H19N3O3/c1-19-10-12(16(18-19)21-2)9-17-15(20)14-13-6-4-3-5-11(13)7-8-22-14/h3-6,10,14H,7-9H2,1-2H3,(H,17,20)
InChIKeyMNKGRAWJVIXMKL-UHFFFAOYSA-N
XLogP1.36
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-hydroxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide
CID 136567619
(1R)-N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 7343697
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-1H-isochromene-1-carboxamide
CID 75507629
N-(furan-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 2969137
N-[3-(2,3-dihydroindol-1-yl)propyl]-3,4-dihydro-1H-isochromene-1-carboxamide
CID 102560490
4-[(3,4-dihydro-1H-isochromene-1-carbonylamino)methyl]benzoic acid
CID 119994931
4-[[[(1S)-3,4-dihydro-1H-isochromene-1-carbonyl]amino]methyl]benzoic acid
CID 124626878
2-[[[(1R)-3,4-dihydro-1H-isochromene-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 99774704
3-hydroxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-1-phenylcyclobutane-1-carboxamide
CID 136587679
3,4-dihydro-1H-isochromen-1-yl-(1-propylpyrazol-4-yl)methanone
CID 105082158
4-cyclopentyl-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]morpholine-3-carboxamide
CID 136567627
N-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 115752894

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isochromene-1-carboxamide?
The IUPAC name of N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isochromene-1-carboxamide (CID 136567630) is N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isochromene-1-carboxamide.
What is the SMILES notation for N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isochromene-1-carboxamide?
The canonical SMILES for N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isochromene-1-carboxamide is COc1nn(C)cc1CNC(=O)C1OCCc2ccccc21.
What is the InChIKey of N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isochromene-1-carboxamide?
The InChIKey is MNKGRAWJVIXMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-19-10-12(16(18-19)21-2)9-17-15(20)14-13-6-4-3-5-11(13)7-8-22-14/h3-6,10,14H,7-9H2,1-2H3,(H,17,20).
What are the key properties of N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isochromene-1-carboxamide?
N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isochromene-1-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isochromene-1-carboxamide is sourced from PubChem (CID 136567630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).