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

C20H23N5O4 — CID 139412979

IUPAC1-(2-hydroxyethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylpyrazole-4-carboxamide
SMILESCOCc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2cn(CCO)nc2C)no1
InChIInChI=1S/C20H23N5O4/c1-12-16(10-25(23-12)7-8-26)20(27)21-17-6-4-13-9-14(3-5-15(13)17)19-22-18(11-28-2)29-24-19/h3,5,9-10,17,26H,4,6-8,11H2,1-2H3,(H,21,27)/t17-/m1/s1
InChIKeyQQLBZXNDLVZIBK-QGZVFWFLSA-N
MW397.44 g/mol
LogP1.80
Rot. Bonds7

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

1-(2-hydroxyethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylpyrazole-4-carboxamide (PubChem CID 139412979) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylpyrazole-4-carboxamide
PubChem CID139412979
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC Name1-(2-hydroxyethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylpyrazole-4-carboxamide
SMILESCOCc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2cn(CCO)nc2C)no1
InChIInChI=1S/C20H23N5O4/c1-12-16(10-25(23-12)7-8-26)20(27)21-17-6-4-13-9-14(3-5-15(13)17)19-22-18(11-28-2)29-24-19/h3,5,9-10,17,26H,4,6-8,11H2,1-2H3,(H,21,27)/t17-/m1/s1
InChIKeyQQLBZXNDLVZIBK-QGZVFWFLSA-N
XLogP1.80
TPSA115.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(2-hydroxyethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylpyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(2-hydroxyethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylpyrazole-4-carboxamide (CID 139412979) is 1-(2-hydroxyethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2-hydroxyethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylpyrazole-4-carboxamide is COCc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2cn(CCO)nc2C)no1.
What is the InChIKey of 1-(2-hydroxyethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylpyrazole-4-carboxamide?
The InChIKey is QQLBZXNDLVZIBK-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23N5O4/c1-12-16(10-25(23-12)7-8-26)20(27)21-17-6-4-13-9-14(3-5-15(13)17)19-22-18(11-28-2)29-24-19/h3,5,9-10,17,26H,4,6-8,11H2,1-2H3,(H,21,27)/t17-/m1/s1.
What are the key properties of 1-(2-hydroxyethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylpyrazole-4-carboxamide?
1-(2-hydroxyethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylpyrazole-4-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 139412979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).