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

C20H21N5O2 — CID 139412780

IUPACN-[(1R)-5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)N[C@@H]2CCc3cc(-c4noc(C5CCC5)n4)ccc32)cn1
InChIInChI=1S/C20H21N5O2/c1-25-11-15(10-21-25)19(26)22-17-8-6-13-9-14(5-7-16(13)17)18-23-20(27-24-18)12-3-2-4-12/h5,7,9-12,17H,2-4,6,8H2,1H3,(H,22,26)/t17-/m1/s1
InChIKeyUIZBQJYPLKTSNH-QGZVFWFLSA-N
MW363.42 g/mol
LogP3.15
Rot. Bonds4

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

N-[(1R)-5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 139412780) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[(1R)-5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide
PubChem CID139412780
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[(1R)-5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)N[C@@H]2CCc3cc(-c4noc(C5CCC5)n4)ccc32)cn1
InChIInChI=1S/C20H21N5O2/c1-25-11-15(10-21-25)19(26)22-17-8-6-13-9-14(5-7-16(13)17)18-23-20(27-24-18)12-3-2-4-12/h5,7,9-12,17H,2-4,6,8H2,1H3,(H,22,26)/t17-/m1/s1
InChIKeyUIZBQJYPLKTSNH-QGZVFWFLSA-N
XLogP3.15
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(1R)-5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide (CID 139412780) is N-[(1R)-5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1R)-5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)N[C@@H]2CCc3cc(-c4noc(C5CCC5)n4)ccc32)cn1.
What is the InChIKey of N-[(1R)-5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is UIZBQJYPLKTSNH-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-25-11-15(10-21-25)19(26)22-17-8-6-13-9-14(5-7-16(13)17)18-23-20(27-24-18)12-3-2-4-12/h5,7,9-12,17H,2-4,6,8H2,1H3,(H,22,26)/t17-/m1/s1.
What are the key properties of N-[(1R)-5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide?
N-[(1R)-5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 139412780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).