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

C17H17N5O2 — CID 139412462

IUPAC1-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-4-carboxamide
SMILESCc1noc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2cnn(C)c2)n1
InChIInChI=1S/C17H17N5O2/c1-10-19-17(24-21-10)12-3-5-14-11(7-12)4-6-15(14)20-16(23)13-8-18-22(2)9-13/h3,5,7-9,15H,4,6H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyBDCWXSGXFMTPMS-OAHLLOKOSA-N
MW323.36 g/mol
LogP2.20
Rot. Bonds3

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

1-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-4-carboxamide (PubChem CID 139412462) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 1-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-4-carboxamide
PubChem CID139412462
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name1-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-4-carboxamide
SMILESCc1noc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2cnn(C)c2)n1
InChIInChI=1S/C17H17N5O2/c1-10-19-17(24-21-10)12-3-5-14-11(7-12)4-6-15(14)20-16(23)13-8-18-22(2)9-13/h3,5,7-9,15H,4,6H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyBDCWXSGXFMTPMS-OAHLLOKOSA-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

CID 139331495
CID 139331495
CID 139330782
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CID 139412231
CID 139412231
CID 139412371
CID 139412371
CID 139412410
CID 139412410
CID 139412645
CID 139412645
CID 139412780
CID 139412780
CID 139413221
CID 139413221
CID 56835800
CID 56835800
CID 139412533
CID 139412533
CID 139412681
CID 139412681
CID 130468652
CID 130468652

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-4-carboxamide?
The IUPAC name of 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) is 1-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-4-carboxamide is Cc1noc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2cnn(C)c2)n1.
What is the InChIKey of 1-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-4-carboxamide?
The InChIKey is BDCWXSGXFMTPMS-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-10-19-17(24-21-10)12-3-5-14-11(7-12)4-6-15(14)20-16(23)13-8-18-22(2)9-13/h3,5,7-9,15H,4,6H2,1-2H3,(H,20,23)/t15-/m1/s1.
What are the key properties of 1-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-4-carboxamide?
1-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-4-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 1-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 139412462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).