N-(1-hydroxy-4-methylpentan-2-yl)-1-methylindazole-3-carboxamide

C15H21N3O2 — CID 103120120

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-1-methylindazole-3-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C15H21N3O2/c1-10(2)8-11(9-19)16-15(20)14-12-6-4-5-7-13(12)18(3)17-14/h4-7,10-11,19H,8-9H2,1-3H3,(H,16,20)
InChIKeyVNNVFBNIKUEKNM-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.71
Rot. Bonds5

About N-(1-hydroxy-4-methylpentan-2-yl)-1-methylindazole-3-carboxamide

N-(1-hydroxy-4-methylpentan-2-yl)-1-methylindazole-3-carboxamide (PubChem CID 103120120) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-1-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-1-methylindazole-3-carboxamide
PubChem CID103120120
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-1-methylindazole-3-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C15H21N3O2/c1-10(2)8-11(9-19)16-15(20)14-12-6-4-5-7-13(12)18(3)17-14/h4-7,10-11,19H,8-9H2,1-3H3,(H,16,20)
InChIKeyVNNVFBNIKUEKNM-UHFFFAOYSA-N
XLogP1.71
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103116476
methyl 3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]propanoate
CID 103121157
N-(5-aminopentan-2-yl)-1-methylindazole-3-carboxamide
CID 103123150
N-(2-chloropropyl)-1-methylindazole-3-carboxamide
CID 103122559
N-decan-3-yl-1-methylindazole-3-carboxamide
CID 67866590
3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103116350
N-(4-amino-1-methoxybutan-2-yl)-1-methylindazole-3-carboxamide
CID 106152679
2-methyl-4-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103117045
N-(2-chloroethyl)-1-methylindazole-3-carboxamide
CID 103119713
(2S)-2-[(1-methylindazole-3-carbonyl)amino]pentanoic acid
CID 107564755
N-[2-(2-hydroxypropylamino)ethyl]-1-methylindazole-3-carboxamide
CID 103121080
(2R)-4-amino-2-[(1-methylindazole-3-carbonyl)amino]-4-oxobutanoic acid
CID 107821571

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-1-methylindazole-3-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-1-methylindazole-3-carboxamide (CID 103120120) is N-(1-hydroxy-4-methylpentan-2-yl)-1-methylindazole-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-1-methylindazole-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-1-methylindazole-3-carboxamide is CC(C)CC(CO)NC(=O)c1nn(C)c2ccccc12.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-1-methylindazole-3-carboxamide?
The InChIKey is VNNVFBNIKUEKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(2)8-11(9-19)16-15(20)14-12-6-4-5-7-13(12)18(3)17-14/h4-7,10-11,19H,8-9H2,1-3H3,(H,16,20).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-1-methylindazole-3-carboxamide?
N-(1-hydroxy-4-methylpentan-2-yl)-1-methylindazole-3-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-1-methylindazole-3-carboxamide is sourced from PubChem (CID 103120120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).