(1R)-N-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2,3-dihydro-1H-indene-1-carboxamide

C17H21N3O2 — CID 164635186

IUPAC(1R)-N-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2,3-dihydro-1H-indene-1-carboxamide
SMILESCCc1nn(C)cc1NC(=O)[C@@H]1CCc2ccc(OC)cc21
InChIInChI=1S/C17H21N3O2/c1-4-15-16(10-20(2)19-15)18-17(21)13-8-6-11-5-7-12(22-3)9-14(11)13/h5,7,9-10,13H,4,6,8H2,1-3H3,(H,18,21)/t13-/m1/s1
InChIKeyZCKIGHKWTWGVOW-CYBMUJFWSA-N
MW299.37 g/mol
LogP2.66
Rot. Bonds4

About (1R)-N-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2,3-dihydro-1H-indene-1-carboxamide

(1R)-N-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 164635186) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (1R)-N-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID164635186
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(1R)-N-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2,3-dihydro-1H-indene-1-carboxamide
SMILESCCc1nn(C)cc1NC(=O)[C@@H]1CCc2ccc(OC)cc21
InChIInChI=1S/C17H21N3O2/c1-4-15-16(10-20(2)19-15)18-17(21)13-8-6-11-5-7-12(22-3)9-14(11)13/h5,7,9-10,13H,4,6,8H2,1-3H3,(H,18,21)/t13-/m1/s1
InChIKeyZCKIGHKWTWGVOW-CYBMUJFWSA-N
XLogP2.66
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of (1R)-N-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2,3-dihydro-1H-indene-1-carboxamide (CID 164635186) is (1R)-N-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for (1R)-N-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for (1R)-N-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2,3-dihydro-1H-indene-1-carboxamide is CCc1nn(C)cc1NC(=O)[C@@H]1CCc2ccc(OC)cc21.
What is the InChIKey of (1R)-N-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is ZCKIGHKWTWGVOW-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-4-15-16(10-20(2)19-15)18-17(21)13-8-6-11-5-7-12(22-3)9-14(11)13/h5,7,9-10,13H,4,6,8H2,1-3H3,(H,18,21)/t13-/m1/s1.
What are the key properties of (1R)-N-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2,3-dihydro-1H-indene-1-carboxamide?
(1R)-N-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 164635186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).