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

C17H21N3O3 — CID 164638557

IUPAC(1R)-7-methoxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1cccc2c1[C@H](C(=O)NCc1cn(C)nc1OC)CC2
InChIInChI=1S/C17H21N3O3/c1-20-10-12(17(19-20)23-3)9-18-16(21)13-8-7-11-5-4-6-14(22-2)15(11)13/h4-6,10,13H,7-9H2,1-3H3,(H,18,21)/t13-/m1/s1
InChIKeyRJJFIIOVICHYSX-CYBMUJFWSA-N
MW315.37 g/mol
LogP1.78
Rot. Bonds5

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

(1R)-7-methoxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 164638557) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is (1R)-7-methoxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound Name(1R)-7-methoxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID164638557
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name(1R)-7-methoxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1cccc2c1[C@H](C(=O)NCc1cn(C)nc1OC)CC2
InChIInChI=1S/C17H21N3O3/c1-20-10-12(17(19-20)23-3)9-18-16(21)13-8-7-11-5-4-6-14(22-2)15(11)13/h4-6,10,13H,7-9H2,1-3H3,(H,18,21)/t13-/m1/s1
InChIKeyRJJFIIOVICHYSX-CYBMUJFWSA-N
XLogP1.78
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-(4-methoxyphenyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 1244077
(1R)-7-ethoxy-1,3-dimethyl-5-(1-methylpyrazol-4-yl)-1H-3-benzazepin-2-one
CID 168298613
N-[(1-methyl-1H-pyrazol-4-yl)methyl]-9H-xanthene-9-carboxamide
CID 3236180
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 3238161
US10343992, Example 2
CID 122590765
2-(2-methoxyphenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 24645733
N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-(1H-pyrazol-1-yl)butanamide
CID 72900777
4-(4-methoxy-2,5-dimethylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 126437611
(1R)-N-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2,3-dihydro-1H-indene-1-carboxamide
CID 164635186
(1R)-7-hydroxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide
CID 164635420
N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluoro-2-methylphenyl)pyrazol-1-yl]pentanamide
CID 91561462
N-[1-(3-methoxyphenyl)cyclopentyl]-3-pyrazol-1-ylpropanamide
CID 16674692

Frequently Asked Questions

What is the IUPAC name of (1R)-7-methoxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of (1R)-7-methoxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide (CID 164638557) is (1R)-7-methoxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for (1R)-7-methoxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for (1R)-7-methoxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide is COc1cccc2c1[C@H](C(=O)NCc1cn(C)nc1OC)CC2.
What is the InChIKey of (1R)-7-methoxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is RJJFIIOVICHYSX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-20-10-12(17(19-20)23-3)9-18-16(21)13-8-7-11-5-4-6-14(22-2)15(11)13/h4-6,10,13H,7-9H2,1-3H3,(H,18,21)/t13-/m1/s1.
What are the key properties of (1R)-7-methoxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide?
(1R)-7-methoxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-methoxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 164638557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).