3-cyclopentyl-N-[(1S,2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]-1-methylpyrazole-4-carboxamide

C20H25N3O2 — CID 136588660

IUPAC3-cyclopentyl-N-[(1S,2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]-1-methylpyrazole-4-carboxamide
SMILESCO[C@H]1c2ccccc2C[C@H]1NC(=O)c1cn(C)nc1C1CCCC1
InChIInChI=1S/C20H25N3O2/c1-23-12-16(18(22-23)13-7-3-4-8-13)20(24)21-17-11-14-9-5-6-10-15(14)19(17)25-2/h5-6,9-10,12-13,17,19H,3-4,7-8,11H2,1-2H3,(H,21,24)/t17-,19+/m1/s1
InChIKeyZASBPXCINZOWPY-MJGOQNOKSA-N
MW339.44 g/mol
LogP3.12
Rot. Bonds4

About 3-cyclopentyl-N-[(1S,2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]-1-methylpyrazole-4-carboxamide

3-cyclopentyl-N-[(1S,2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 136588660) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-cyclopentyl-N-[(1S,2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[(1S,2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]-1-methylpyrazole-4-carboxamide
PubChem CID136588660
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-cyclopentyl-N-[(1S,2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]-1-methylpyrazole-4-carboxamide
SMILESCO[C@H]1c2ccccc2C[C@H]1NC(=O)c1cn(C)nc1C1CCCC1
InChIInChI=1S/C20H25N3O2/c1-23-12-16(18(22-23)13-7-3-4-8-13)20(24)21-17-11-14-9-5-6-10-15(14)19(17)25-2/h5-6,9-10,12-13,17,19H,3-4,7-8,11H2,1-2H3,(H,21,24)/t17-,19+/m1/s1
InChIKeyZASBPXCINZOWPY-MJGOQNOKSA-N
XLogP3.12
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-[(3R)-oxolan-3-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide
CID 129472548
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 138027230
3-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid
CID 119347771
3-cyclopentyl-1-methyl-N-pyridin-2-ylsulfonylpyrazole-4-carboxamide
CID 146104183
N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 129473435
N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 129473437
N-[(1R,2R)-2-hydroxycyclohexyl]-1,3-dimethylpyrazole-4-carboxamide
CID 104927400
3-cyclohexyl-1-methyl-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)pyrazole-4-carboxamide
CID 127418888
7-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]heptanoic acid
CID 119350736
1-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanone
CID 83873172
(2S)-2-(cyclopropylmethylamino)-2-(4-fluorophenyl)-N-[(1S,2S)-1-methoxy-2,3-dihydro-1H-inden-2-yl]acetamide
CID 137441244
3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide
CID 131898012

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[(1S,2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-cyclopentyl-N-[(1S,2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]-1-methylpyrazole-4-carboxamide (CID 136588660) is 3-cyclopentyl-N-[(1S,2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-cyclopentyl-N-[(1S,2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-cyclopentyl-N-[(1S,2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]-1-methylpyrazole-4-carboxamide is CO[C@H]1c2ccccc2C[C@H]1NC(=O)c1cn(C)nc1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-N-[(1S,2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is ZASBPXCINZOWPY-MJGOQNOKSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-23-12-16(18(22-23)13-7-3-4-8-13)20(24)21-17-11-14-9-5-6-10-15(14)19(17)25-2/h5-6,9-10,12-13,17,19H,3-4,7-8,11H2,1-2H3,(H,21,24)/t17-,19+/m1/s1.
What are the key properties of 3-cyclopentyl-N-[(1S,2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]-1-methylpyrazole-4-carboxamide?
3-cyclopentyl-N-[(1S,2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[(1S,2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 136588660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).