N-[(3-hydroxyoxolan-3-yl)methyl]-1H-indazole-5-carboxamide

C13H15N3O3 — CID 103848874

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]-1H-indazole-5-carboxamide
SMILESO=C(NCC1(O)CCOC1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C13H15N3O3/c17-12(14-7-13(18)3-4-19-8-13)9-1-2-11-10(5-9)6-15-16-11/h1-2,5-6,18H,3-4,7-8H2,(H,14,17)(H,15,16)
InChIKeyMTXZBKKJNCKSEX-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.44
Rot. Bonds3

About N-[(3-hydroxyoxolan-3-yl)methyl]-1H-indazole-5-carboxamide

N-[(3-hydroxyoxolan-3-yl)methyl]-1H-indazole-5-carboxamide (PubChem CID 103848874) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]-1H-indazole-5-carboxamide
PubChem CID103848874
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]-1H-indazole-5-carboxamide
SMILESO=C(NCC1(O)CCOC1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C13H15N3O3/c17-12(14-7-13(18)3-4-19-8-13)9-1-2-11-10(5-9)6-15-16-11/h1-2,5-6,18H,3-4,7-8H2,(H,14,17)(H,15,16)
InChIKeyMTXZBKKJNCKSEX-UHFFFAOYSA-N
XLogP0.44
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide
CID 103848682
N-(2-amino-2-oxoethyl)-1H-indazole-5-carboxamide
CID 63929072
3-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylbenzamide
CID 103849475
4-amino-3-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 106099036
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-indazole-6-carboxamide
CID 65119013
3-hydroxy-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzamide
CID 103849817
4-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 113338032
4-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxybenzamide
CID 106099007
3-fluoro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methoxybenzamide
CID 129413929
N-[(3-hydroxyoxolan-3-yl)methyl]furan-3-carboxamide
CID 103848998
3-(1H-indazole-5-carbonylamino)propanoic acid
CID 43354730
N-[(3-hydroxyoxolan-3-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103849205

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-1H-indazole-5-carboxamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-1H-indazole-5-carboxamide (CID 103848874) is N-[(3-hydroxyoxolan-3-yl)methyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]-1H-indazole-5-carboxamide is O=C(NCC1(O)CCOC1)c1ccc2[nH]ncc2c1.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]-1H-indazole-5-carboxamide?
The InChIKey is MTXZBKKJNCKSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-12(14-7-13(18)3-4-19-8-13)9-1-2-11-10(5-9)6-15-16-11/h1-2,5-6,18H,3-4,7-8H2,(H,14,17)(H,15,16).
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]-1H-indazole-5-carboxamide?
N-[(3-hydroxyoxolan-3-yl)methyl]-1H-indazole-5-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyoxolan-3-yl)methyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 103848874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).