N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-ethyl-1-methylpyrazole-4-carboxamide

C16H20N4O — CID 138027230

IUPACN-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)N[C@@H]1Cc2ccccc2[C@H]1N
InChIInChI=1S/C16H20N4O/c1-3-13-12(9-20(2)19-13)16(21)18-14-8-10-6-4-5-7-11(10)15(14)17/h4-7,9,14-15H,3,8,17H2,1-2H3,(H,18,21)/t14-,15-/m1/s1
InChIKeyVMFNPONZNMIBFZ-HUUCEWRRSA-N
MW284.36 g/mol
LogP1.34
Rot. Bonds3

About N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-ethyl-1-methylpyrazole-4-carboxamide

N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-ethyl-1-methylpyrazole-4-carboxamide (PubChem CID 138027230) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-ethyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-ethyl-1-methylpyrazole-4-carboxamide
PubChem CID138027230
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)N[C@@H]1Cc2ccccc2[C@H]1N
InChIInChI=1S/C16H20N4O/c1-3-13-12(9-20(2)19-13)16(21)18-14-8-10-6-4-5-7-11(10)15(14)17/h4-7,9,14-15H,3,8,17H2,1-2H3,(H,18,21)/t14-,15-/m1/s1
InChIKeyVMFNPONZNMIBFZ-HUUCEWRRSA-N
XLogP1.34
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-ethyl-1-methylpyrazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810931
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N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-5-ethyl-2,3-dihydro-1-benzofuran-7-carboxamide
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N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]propanamide
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N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-(1-methylpyrazol-4-yl)propanamide;hydrochloride
CID 154901298
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]pyridine-4-carboxamide
CID 142582886
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CID 136588660
N-[(1R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methoxyacetamide
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N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 74244390
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-cyclopentylpyrazole-3-carboxamide
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3-ethyl-1-methyl-N-phenylmethoxypyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-ethyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-ethyl-1-methylpyrazole-4-carboxamide (CID 138027230) is N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-ethyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-ethyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-ethyl-1-methylpyrazole-4-carboxamide is CCc1nn(C)cc1C(=O)N[C@@H]1Cc2ccccc2[C@H]1N.
What is the InChIKey of N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-ethyl-1-methylpyrazole-4-carboxamide?
The InChIKey is VMFNPONZNMIBFZ-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-13-12(9-20(2)19-13)16(21)18-14-8-10-6-4-5-7-11(10)15(14)17/h4-7,9,14-15H,3,8,17H2,1-2H3,(H,18,21)/t14-,15-/m1/s1.
What are the key properties of N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-ethyl-1-methylpyrazole-4-carboxamide?
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-ethyl-1-methylpyrazole-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-ethyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 138027230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).