N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1H-indazole-3-carboxamide

C18H19N3O2 — CID 52777916

IUPACN-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1H-indazole-3-carboxamide
SMILESCc1ccc(OC[C@@H](C)NC(=O)c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C18H19N3O2/c1-12-7-9-14(10-8-12)23-11-13(2)19-18(22)17-15-5-3-4-6-16(15)20-21-17/h3-10,13H,11H2,1-2H3,(H,19,22)(H,20,21)/t13-/m1/s1
InChIKeyVUBLTIIZYZGYEH-CYBMUJFWSA-N
MW309.37 g/mol
LogP3.07
Rot. Bonds5

About N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1H-indazole-3-carboxamide

N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1H-indazole-3-carboxamide (PubChem CID 52777916) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1H-indazole-3-carboxamide
PubChem CID52777916
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1H-indazole-3-carboxamide
SMILESCc1ccc(OC[C@@H](C)NC(=O)c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C18H19N3O2/c1-12-7-9-14(10-8-12)23-11-13(2)19-18(22)17-15-5-3-4-6-16(15)20-21-17/h3-10,13H,11H2,1-2H3,(H,19,22)(H,20,21)/t13-/m1/s1
InChIKeyVUBLTIIZYZGYEH-CYBMUJFWSA-N
XLogP3.07
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methoxypropan-2-yl)-1H-indazole-3-carboxamide
CID 18161172
N-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide
CID 63851037
N-(1-ethoxyethyl)-1H-indazole-3-carboxamide
CID 57149113
N-[(2S)-4-methyl-4-phenylpentan-2-yl]-1H-indazole-3-carboxamide
CID 52768115
N-(1-hydroxypropan-2-yl)-5-methyl-1H-indazole-3-carboxamide
CID 110888660
N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1H-indazole-3-carboxamide
CID 170858384
N-[(2S)-4-(4-bromophenyl)butan-2-yl]-1H-indazole-3-carboxamide
CID 52734946
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1H-indazole-3-carboxamide
CID 17462645
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
N-methoxy-1H-indazole-3-carboxamide
CID 60722689
N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide
CID 154796255
N-(2-phenoxyethyl)-1H-indazole-3-carboxamide
CID 27758329

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1H-indazole-3-carboxamide (CID 52777916) is N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1H-indazole-3-carboxamide is Cc1ccc(OC[C@@H](C)NC(=O)c2n[nH]c3ccccc23)cc1.
What is the InChIKey of N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1H-indazole-3-carboxamide?
The InChIKey is VUBLTIIZYZGYEH-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-7-9-14(10-8-12)23-11-13(2)19-18(22)17-15-5-3-4-6-16(15)20-21-17/h3-10,13H,11H2,1-2H3,(H,19,22)(H,20,21)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1H-indazole-3-carboxamide?
N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1H-indazole-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 52777916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).