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

C17H17N5O2 — CID 139330782

IUPACN-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1H-pyrazole-4-carboxamide
SMILESCCc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2cn[nH]c2)no1
InChIInChI=1S/C17H17N5O2/c1-2-15-21-16(22-24-15)11-3-5-13-10(7-11)4-6-14(13)20-17(23)12-8-18-19-9-12/h3,5,7-9,14H,2,4,6H2,1H3,(H,18,19)(H,20,23)/t14-/m1/s1
InChIKeyZKBQDEMRDUOQTC-CQSZACIVSA-N
MW323.36 g/mol
LogP2.44
Rot. Bonds4

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

N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1H-pyrazole-4-carboxamide (PubChem CID 139330782) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1H-pyrazole-4-carboxamide
PubChem CID139330782
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1H-pyrazole-4-carboxamide
SMILESCCc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2cn[nH]c2)no1
InChIInChI=1S/C17H17N5O2/c1-2-15-21-16(22-24-15)11-3-5-13-10(7-11)4-6-14(13)20-17(23)12-8-18-19-9-12/h3,5,7-9,14H,2,4,6H2,1H3,(H,18,19)(H,20,23)/t14-/m1/s1
InChIKeyZKBQDEMRDUOQTC-CQSZACIVSA-N
XLogP2.44
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1H-pyrazole-4-carboxamide (CID 139330782) is N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1H-pyrazole-4-carboxamide is CCc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2cn[nH]c2)no1.
What is the InChIKey of N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is ZKBQDEMRDUOQTC-CQSZACIVSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-2-15-21-16(22-24-15)11-3-5-13-10(7-11)4-6-14(13)20-17(23)12-8-18-19-9-12/h3,5,7-9,14H,2,4,6H2,1H3,(H,18,19)(H,20,23)/t14-/m1/s1.
What are the key properties of N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1H-pyrazole-4-carboxamide?
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 139330782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).