1-methyl-N-[(3-methyloxetan-3-yl)methyl]indazole-3-carboxamide

C14H17N3O2 — CID 103120024

IUPAC1-methyl-N-[(3-methyloxetan-3-yl)methyl]indazole-3-carboxamide
SMILESCn1nc(C(=O)NCC2(C)COC2)c2ccccc21
InChIInChI=1S/C14H17N3O2/c1-14(8-19-9-14)7-15-13(18)12-10-5-3-4-6-11(10)17(2)16-12/h3-6H,7-9H2,1-2H3,(H,15,18)
InChIKeyXYQGOEVZLYWTEP-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.34
Rot. Bonds3

About 1-methyl-N-[(3-methyloxetan-3-yl)methyl]indazole-3-carboxamide

1-methyl-N-[(3-methyloxetan-3-yl)methyl]indazole-3-carboxamide (PubChem CID 103120024) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-methyl-N-[(3-methyloxetan-3-yl)methyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(3-methyloxetan-3-yl)methyl]indazole-3-carboxamide
PubChem CID103120024
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-methyl-N-[(3-methyloxetan-3-yl)methyl]indazole-3-carboxamide
SMILESCn1nc(C(=O)NCC2(C)COC2)c2ccccc21
InChIInChI=1S/C14H17N3O2/c1-14(8-19-9-14)7-15-13(18)12-10-5-3-4-6-11(10)17(2)16-12/h3-6H,7-9H2,1-2H3,(H,15,18)
InChIKeyXYQGOEVZLYWTEP-UHFFFAOYSA-N
XLogP1.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloroethyl)-1-methylindazole-3-carboxamide
CID 103119713
N-(2-chloropropyl)-1-methylindazole-3-carboxamide
CID 103122559
N-(3-bromopropyl)-1-methylindazole-3-carboxamide
CID 103119709
N-(3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 166081516
1-methyl-N-pent-4-ynylindazole-3-carboxamide
CID 106223254
methyl 3-[(1-methylindazole-3-carbonyl)amino]propanoate
CID 103121172
N-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822185
N-(3-chloro-2,2-dimethylpropyl)-1-methylindazole-3-carboxamide
CID 103122780
N-[(4-chlorocyclohexyl)methyl]-1-methylindazole-3-carboxamide
CID 106133570
6-[(1-methylindazole-3-carbonyl)amino]hexanoic acid
CID 103116333
N-[(2-chlorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822183
1-methyl-N-(5-piperidin-1-ylpentyl)indazole-3-carboxamide
CID 54486483

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3-methyloxetan-3-yl)methyl]indazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[(3-methyloxetan-3-yl)methyl]indazole-3-carboxamide (CID 103120024) is 1-methyl-N-[(3-methyloxetan-3-yl)methyl]indazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(3-methyloxetan-3-yl)methyl]indazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(3-methyloxetan-3-yl)methyl]indazole-3-carboxamide is Cn1nc(C(=O)NCC2(C)COC2)c2ccccc21.
What is the InChIKey of 1-methyl-N-[(3-methyloxetan-3-yl)methyl]indazole-3-carboxamide?
The InChIKey is XYQGOEVZLYWTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-14(8-19-9-14)7-15-13(18)12-10-5-3-4-6-11(10)17(2)16-12/h3-6H,7-9H2,1-2H3,(H,15,18).
What are the key properties of 1-methyl-N-[(3-methyloxetan-3-yl)methyl]indazole-3-carboxamide?
1-methyl-N-[(3-methyloxetan-3-yl)methyl]indazole-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3-methyloxetan-3-yl)methyl]indazole-3-carboxamide is sourced from PubChem (CID 103120024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).