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

C19H21N5O2 — CID 139413221

IUPAC1-methyl-N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-4-carboxamide
SMILESCC(C)c1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2cnn(C)c2)no1
InChIInChI=1S/C19H21N5O2/c1-11(2)19-22-17(23-26-19)13-4-6-15-12(8-13)5-7-16(15)21-18(25)14-9-20-24(3)10-14/h4,6,8-11,16H,5,7H2,1-3H3,(H,21,25)/t16-/m1/s1
InChIKeyPMMZFFAHZAIBSD-MRXNPFEDSA-N
MW351.41 g/mol
LogP3.01
Rot. Bonds4

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

1-methyl-N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-4-carboxamide (PubChem CID 139413221) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-methyl-N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-4-carboxamide
PubChem CID139413221
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1-methyl-N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-4-carboxamide
SMILESCC(C)c1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2cnn(C)c2)no1
InChIInChI=1S/C19H21N5O2/c1-11(2)19-22-17(23-26-19)13-4-6-15-12(8-13)5-7-16(15)21-18(25)14-9-20-24(3)10-14/h4,6,8-11,16H,5,7H2,1-3H3,(H,21,25)/t16-/m1/s1
InChIKeyPMMZFFAHZAIBSD-MRXNPFEDSA-N
XLogP3.01
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-4-carboxamide (CID 139413221) is 1-methyl-N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-4-carboxamide is CC(C)c1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2cnn(C)c2)no1.
What is the InChIKey of 1-methyl-N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-4-carboxamide?
The InChIKey is PMMZFFAHZAIBSD-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-11(2)19-22-17(23-26-19)13-4-6-15-12(8-13)5-7-16(15)21-18(25)14-9-20-24(3)10-14/h4,6,8-11,16H,5,7H2,1-3H3,(H,21,25)/t16-/m1/s1.
What are the key properties of 1-methyl-N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-4-carboxamide?
1-methyl-N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-4-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.01, 4 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-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 139413221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).