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

C18H22N4O — CID 138011380

IUPACN-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-cyclopentylpyrazole-3-carboxamide
SMILESN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccnn1C1CCCC1
InChIInChI=1S/C18H22N4O/c19-17-14-8-4-1-5-12(14)11-15(17)21-18(23)16-9-10-20-22(16)13-6-2-3-7-13/h1,4-5,8-10,13,15,17H,2-3,6-7,11,19H2,(H,21,23)/t15-,17-/m1/s1
InChIKeyWJINPJGAIQZUOU-NVXWUHKLSA-N
MW310.40 g/mol
LogP2.35
Rot. Bonds3

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

N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-cyclopentylpyrazole-3-carboxamide (PubChem CID 138011380) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-cyclopentylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-cyclopentylpyrazole-3-carboxamide
PubChem CID138011380
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-cyclopentylpyrazole-3-carboxamide
SMILESN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccnn1C1CCCC1
InChIInChI=1S/C18H22N4O/c19-17-14-8-4-1-5-12(14)11-15(17)21-18(23)16-9-10-20-22(16)13-6-2-3-7-13/h1,4-5,8-10,13,15,17H,2-3,6-7,11,19H2,(H,21,23)/t15-,17-/m1/s1
InChIKeyWJINPJGAIQZUOU-NVXWUHKLSA-N
XLogP2.35
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]pyridine-4-carboxamide
CID 142582886
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-phenylpyrazole-4-carboxamide
CID 74244794
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-cyclopropyl-6-oxopyridine-3-carboxamide
CID 138011361
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-methyl-3-propylpyrazole-5-carboxamide
CID 70784279
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 138027230
1-[(2-cyclopentylpyrazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 120530593
2-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-phenylacetic acid
CID 120518063
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxamide
CID 138011377
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]propanamide
CID 165456832
3-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]propanamide
CID 72861323
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 74244390
2-(2-cyclopentylpyrazole-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 120517826

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-cyclopentylpyrazole-3-carboxamide?
The IUPAC name of N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-cyclopentylpyrazole-3-carboxamide (CID 138011380) is N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-cyclopentylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-cyclopentylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-cyclopentylpyrazole-3-carboxamide is N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccnn1C1CCCC1.
What is the InChIKey of N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-cyclopentylpyrazole-3-carboxamide?
The InChIKey is WJINPJGAIQZUOU-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H22N4O/c19-17-14-8-4-1-5-12(14)11-15(17)21-18(23)16-9-10-20-22(16)13-6-2-3-7-13/h1,4-5,8-10,13,15,17H,2-3,6-7,11,19H2,(H,21,23)/t15-,17-/m1/s1.
What are the key properties of N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-cyclopentylpyrazole-3-carboxamide?
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-cyclopentylpyrazole-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.35, 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]-2-cyclopentylpyrazole-3-carboxamide is sourced from PubChem (CID 138011380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).