N-(2,3-dihydroxy-2-methylpropyl)-1H-indazole-3-carboxamide

C12H15N3O3 — CID 66171472

IUPACN-(2,3-dihydroxy-2-methylpropyl)-1H-indazole-3-carboxamide
SMILESCC(O)(CO)CNC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C12H15N3O3/c1-12(18,7-16)6-13-11(17)10-8-4-2-3-5-9(8)14-15-10/h2-5,16,18H,6-7H2,1H3,(H,13,17)(H,14,15)
InChIKeyRPBGCTACTTUBAT-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.04
Rot. Bonds4

About N-(2,3-dihydroxy-2-methylpropyl)-1H-indazole-3-carboxamide

N-(2,3-dihydroxy-2-methylpropyl)-1H-indazole-3-carboxamide (PubChem CID 66171472) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-(2,3-dihydroxy-2-methylpropyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-2-methylpropyl)-1H-indazole-3-carboxamide
PubChem CID66171472
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC NameN-(2,3-dihydroxy-2-methylpropyl)-1H-indazole-3-carboxamide
SMILESCC(O)(CO)CNC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C12H15N3O3/c1-12(18,7-16)6-13-11(17)10-8-4-2-3-5-9(8)14-15-10/h2-5,16,18H,6-7H2,1H3,(H,13,17)(H,14,15)
InChIKeyRPBGCTACTTUBAT-UHFFFAOYSA-N
XLogP0.04
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-[(1H-indazole-3-carbonylamino)methyl]butanoic acid
CID 115429770
N-(2,3,3-trimethylbutyl)-1H-indazole-3-carboxamide
CID 78966222
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-1H-indazole-3-carboxamide
CID 29302728
3-(1H-indazole-3-carbonylamino)-3-methylbutanoic acid
CID 64671096
N-(2,3-dihydroxy-2-methylpropyl)-2-oxo-1H-quinoline-4-carboxamide
CID 66168370
2-[(1H-indazole-3-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220058
N-[2-(4-amino-2-chlorophenyl)-2-methylpropyl]-1H-indazole-3-carboxamide
CID 67545057
N-methoxy-1H-indazole-3-carboxamide
CID 60722689
4-amino-N-(2,3-dihydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 66170407
N-(3-amino-3-oxopropyl)-1H-indazole-3-carboxamide
CID 63081541
N-(2-methylsulfanylpropyl)-1H-indazole-3-carboxamide
CID 113322050

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-1H-indazole-3-carboxamide (CID 66171472) is N-(2,3-dihydroxy-2-methylpropyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxy-2-methylpropyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(2,3-dihydroxy-2-methylpropyl)-1H-indazole-3-carboxamide is CC(O)(CO)CNC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-(2,3-dihydroxy-2-methylpropyl)-1H-indazole-3-carboxamide?
The InChIKey is RPBGCTACTTUBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-12(18,7-16)6-13-11(17)10-8-4-2-3-5-9(8)14-15-10/h2-5,16,18H,6-7H2,1H3,(H,13,17)(H,14,15).
What are the key properties of N-(2,3-dihydroxy-2-methylpropyl)-1H-indazole-3-carboxamide?
N-(2,3-dihydroxy-2-methylpropyl)-1H-indazole-3-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 0.04, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-2-methylpropyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 66171472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).