N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-5-carboxamide

C16H23N3O2 — CID 109381268

IUPACN-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-5-carboxamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C16H23N3O2/c1-10(2)14(20)16(3,4)9-17-15(21)11-5-6-13-12(7-11)8-18-19-13/h5-8,10,14,20H,9H2,1-4H3,(H,17,21)(H,18,19)
InChIKeyDAMVWXBTHTWOBJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.34
Rot. Bonds5

About N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-5-carboxamide

N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-5-carboxamide (PubChem CID 109381268) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-5-carboxamide
PubChem CID109381268
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-5-carboxamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C16H23N3O2/c1-10(2)14(20)16(3,4)9-17-15(21)11-5-6-13-12(7-11)8-18-19-13/h5-8,10,14,20H,9H2,1-4H3,(H,17,21)(H,18,19)
InChIKeyDAMVWXBTHTWOBJ-UHFFFAOYSA-N
XLogP2.34
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-4,4-dimethylpentyl)-1H-indazole-5-carboxamide
CID 103719083
N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-7-carboxamide
CID 109380508
N-tert-butyl-1H-indazole-5-carboxamide
CID 22933425
N-[(4-tert-butylphenyl)methyl]-1H-indazole-5-carboxamide
CID 22933798
N-(3-propan-2-yloxypropyl)-1H-indazole-5-carboxamide
CID 110485437
4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109380851
N-[(2R)-1-hydroxypropan-2-yl]-1H-indazole-5-carboxamide
CID 79027801
N-methyl-1H-indazole-5-carboxamide
CID 22934041
N-(2-methyl-2-methylsulfanylpropyl)-1H-indazole-6-carboxamide
CID 113246168
N-(2-amino-2-oxoethyl)-1H-indazole-5-carboxamide
CID 63929072
(2R)-2-(1H-indazole-5-carbonylamino)-3-methylbutanoic acid
CID 79011193
3-(1H-indazole-5-carbonylamino)butanoic acid
CID 43172665

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-5-carboxamide (CID 109381268) is N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-5-carboxamide is CC(C)C(O)C(C)(C)CNC(=O)c1ccc2[nH]ncc2c1.
What is the InChIKey of N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-5-carboxamide?
The InChIKey is DAMVWXBTHTWOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10(2)14(20)16(3,4)9-17-15(21)11-5-6-13-12(7-11)8-18-19-13/h5-8,10,14,20H,9H2,1-4H3,(H,17,21)(H,18,19).
What are the key properties of N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-5-carboxamide?
N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-5-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 109381268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).