N-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-6-carboxamide

C14H19N3O2 — CID 62518655

IUPACN-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-6-carboxamide
SMILESCCC(CC)(CO)NC(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C14H19N3O2/c1-3-14(4-2,9-18)16-13(19)10-5-6-11-8-15-17-12(11)7-10/h5-8,18H,3-4,9H2,1-2H3,(H,15,17)(H,16,19)
InChIKeyPEDUIBJVHYUVLL-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.84
Rot. Bonds5

About N-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-6-carboxamide

N-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-6-carboxamide (PubChem CID 62518655) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-6-carboxamide
PubChem CID62518655
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-6-carboxamide
SMILESCCC(CC)(CO)NC(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C14H19N3O2/c1-3-14(4-2,9-18)16-13(19)10-5-6-11-8-15-17-12(11)7-10/h5-8,18H,3-4,9H2,1-2H3,(H,15,17)(H,16,19)
InChIKeyPEDUIBJVHYUVLL-UHFFFAOYSA-N
XLogP1.84
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-3-methylpentan-3-yl)-1H-indazole-6-carboxamide
CID 106166733
N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-indazole-6-carboxamide
CID 106251304
N-(1-amino-2-methylpropan-2-yl)-1H-indazole-6-carboxamide
CID 63194069
(2R)-2-(1H-indazole-6-carbonylamino)propanoic acid
CID 51888645
N-(1-aminobutan-2-yl)-1H-indazole-6-carboxamide
CID 65193937
(2R)-3-hydroxy-2-(1H-indazole-6-carbonylamino)propanoic acid
CID 80751119
N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 55209778
N-(2-methoxy-2-methylpropyl)-1H-indazole-6-carboxamide
CID 115665391
N-(2-methyl-2-methylsulfanylpropyl)-1H-indazole-6-carboxamide
CID 113246168
N-[(1-ethylcyclobutyl)methyl]-1H-indazole-6-carboxamide
CID 103741467
N-(3-methylbutan-2-yl)-1H-indazole-6-carboxamide
CID 55023710
N-(3,3,3-trifluoropropyl)-1H-indazole-6-carboxamide
CID 63227826

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-6-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-6-carboxamide (CID 62518655) is N-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-6-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-6-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-6-carboxamide is CCC(CC)(CO)NC(=O)c1ccc2cn[nH]c2c1.
What is the InChIKey of N-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-6-carboxamide?
The InChIKey is PEDUIBJVHYUVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-14(4-2,9-18)16-13(19)10-5-6-11-8-15-17-12(11)7-10/h5-8,18H,3-4,9H2,1-2H3,(H,15,17)(H,16,19).
What are the key properties of N-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-6-carboxamide?
N-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-6-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-6-carboxamide is sourced from PubChem (CID 62518655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).