2-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide

C14H19N5O2 — CID 125448070

IUPAC2-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCc1noc([C@H](C)NC(=O)c2c3c(nn2C)CCCC3)n1
InChIInChI=1S/C14H19N5O2/c1-8(14-16-9(2)18-21-14)15-13(20)12-10-6-4-5-7-11(10)17-19(12)3/h8H,4-7H2,1-3H3,(H,15,20)/t8-/m0/s1
InChIKeyVFJAIEXZHYBRRO-QMMMGPOBSA-N
MW289.34 g/mol
LogP1.48
Rot. Bonds3

About 2-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide

2-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 125448070) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID125448070
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCc1noc([C@H](C)NC(=O)c2c3c(nn2C)CCCC3)n1
InChIInChI=1S/C14H19N5O2/c1-8(14-16-9(2)18-21-14)15-13(20)12-10-6-4-5-7-11(10)17-19(12)3/h8H,4-7H2,1-3H3,(H,15,20)/t8-/m0/s1
InChIKeyVFJAIEXZHYBRRO-QMMMGPOBSA-N
XLogP1.48
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 118779876
2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-3-carboxamide
CID 146083478
3-bromo-1-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]indole-2-carboxamide
CID 52537910
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 125440909
2-(2-aminoethyl)-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 142262289
N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 118788969
2,4-dimethyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 94789301
2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 139008384
N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylsulfanylcyclopentane-1-carboxamide
CID 95317299
tert-butyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate
CID 56770615
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119310286
3,4,5-trimethoxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 94809095

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 125448070) is 2-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide is Cc1noc([C@H](C)NC(=O)c2c3c(nn2C)CCCC3)n1.
What is the InChIKey of 2-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is VFJAIEXZHYBRRO-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-8(14-16-9(2)18-21-14)15-13(20)12-10-6-4-5-7-11(10)17-19(12)3/h8H,4-7H2,1-3H3,(H,15,20)/t8-/m0/s1.
What are the key properties of 2-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
2-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 125448070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).