N-(3-propan-2-yloxypropyl)-1H-indazole-5-carboxamide

C14H19N3O2 — CID 110485437

IUPACN-(3-propan-2-yloxypropyl)-1H-indazole-5-carboxamide
SMILESCC(C)OCCCNC(=O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C14H19N3O2/c1-10(2)19-7-3-6-15-14(18)11-4-5-13-12(8-11)9-16-17-13/h4-5,8-10H,3,6-7H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyUAKKJRBZKHBQPU-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.11
Rot. Bonds6

About N-(3-propan-2-yloxypropyl)-1H-indazole-5-carboxamide

N-(3-propan-2-yloxypropyl)-1H-indazole-5-carboxamide (PubChem CID 110485437) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(3-propan-2-yloxypropyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-propan-2-yloxypropyl)-1H-indazole-5-carboxamide
PubChem CID110485437
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(3-propan-2-yloxypropyl)-1H-indazole-5-carboxamide
SMILESCC(C)OCCCNC(=O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C14H19N3O2/c1-10(2)19-7-3-6-15-14(18)11-4-5-13-12(8-11)9-16-17-13/h4-5,8-10H,3,6-7H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyUAKKJRBZKHBQPU-UHFFFAOYSA-N
XLogP2.11
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxy-4-methoxybutyl)-1H-indazole-5-carboxamide
CID 103876908
N-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide
CID 110485660
3-(1H-indazole-5-carbonylamino)propanoic acid
CID 43354730
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-indazole-5-carboxamide
CID 64518388
N'-(1H-indazol-6-yl)-N-(3-propan-2-yloxypropyl)oxamide
CID 108525259
N-(2-phenylethyl)-1H-indazole-5-carboxamide
CID 22933558
N-[(2R)-1-hydroxypropan-2-yl]-1H-indazole-5-carboxamide
CID 79027801
N-methyl-1H-indazole-5-carboxamide
CID 22934041
N-(2-amino-2-oxoethyl)-1H-indazole-5-carboxamide
CID 63929072
N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-5-carboxamide
CID 109381268
3-(1H-indazole-5-carbonylamino)butanoic acid
CID 43172665
4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yloxypropyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-(3-propan-2-yloxypropyl)-1H-indazole-5-carboxamide (CID 110485437) is N-(3-propan-2-yloxypropyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-(3-propan-2-yloxypropyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-(3-propan-2-yloxypropyl)-1H-indazole-5-carboxamide is CC(C)OCCCNC(=O)c1ccc2[nH]ncc2c1.
What is the InChIKey of N-(3-propan-2-yloxypropyl)-1H-indazole-5-carboxamide?
The InChIKey is UAKKJRBZKHBQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(2)19-7-3-6-15-14(18)11-4-5-13-12(8-11)9-16-17-13/h4-5,8-10H,3,6-7H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-(3-propan-2-yloxypropyl)-1H-indazole-5-carboxamide?
N-(3-propan-2-yloxypropyl)-1H-indazole-5-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yloxypropyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 110485437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).