2-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide

C17H17N5O2 — CID 139412251

IUPAC2-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide
SMILESCc1noc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2ccnn2C)n1
InChIInChI=1S/C17H17N5O2/c1-10-19-17(24-21-10)12-3-5-13-11(9-12)4-6-14(13)20-16(23)15-7-8-18-22(15)2/h3,5,7-9,14H,4,6H2,1-2H3,(H,20,23)/t14-/m1/s1
InChIKeyXNCWKIVGGCOQKV-CQSZACIVSA-N
MW323.36 g/mol
LogP2.20
Rot. Bonds3

About 2-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide

2-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide (PubChem CID 139412251) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide
PubChem CID139412251
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name2-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide
SMILESCc1noc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2ccnn2C)n1
InChIInChI=1S/C17H17N5O2/c1-10-19-17(24-21-10)12-3-5-13-11(9-12)4-6-14(13)20-16(23)15-7-8-18-22(15)2/h3,5,7-9,14H,4,6H2,1-2H3,(H,20,23)/t14-/m1/s1
InChIKeyXNCWKIVGGCOQKV-CQSZACIVSA-N
XLogP2.20
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-4-carboxamide
CID 139412462
2-methyl-N-[(1R)-5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide
CID 139412839
2-methyl-N-[(1R)-5-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide
CID 139412625
2-methyl-N-[5-(6-methylpyridazin-4-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide
CID 139412402
2-methyl-N-(5-pyridin-2-yl-2,3-dihydro-1H-inden-1-yl)pyrazole-3-carboxamide
CID 139412578
N-[5-(2-cyclopropylethynyl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazole-3-carboxamide
CID 139413160
6-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-1-carboxamide
CID 177230066
3-methyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1,2,4-oxadiazole-5-carboxamide
CID 139412365
2-bromo-4-methylpyrimidine;2-methyl-N-[(1R)-5-(4-methylpyrimidin-2-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide;2-methyl-N-[(1R)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide
CID 159114761
N-[(1R)-5-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-methyltetrazole-5-carboxamide
CID 139412831
2-methyl-N-[(3S)-6-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazole-3-carboxamide
CID 139412864
N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,5-dimethylpyrazole-4-carboxamide
CID 139413072

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide (CID 139412251) is 2-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide is Cc1noc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2ccnn2C)n1.
What is the InChIKey of 2-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide?
The InChIKey is XNCWKIVGGCOQKV-CQSZACIVSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-10-19-17(24-21-10)12-3-5-13-11(9-12)4-6-14(13)20-16(23)15-7-8-18-22(15)2/h3,5,7-9,14H,4,6H2,1-2H3,(H,20,23)/t14-/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide?
2-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 139412251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).