[5-[1-[(4-pyrazol-1-ylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine

C20H17N7O — CID 42637208

IUPAC[5-[1-[(4-pyrazol-1-ylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(-c2nn(Cc3ccc(-n4cccn4)cc3)c3ccccc23)n1
InChIInChI=1S/C20H17N7O/c21-12-18-23-20(28-25-18)19-16-4-1-2-5-17(16)27(24-19)13-14-6-8-15(9-7-14)26-11-3-10-22-26/h1-11H,12-13,21H2
InChIKeyXBOLDSIHPNCOOP-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.78
Rot. Bonds5

About [5-[1-[(4-pyrazol-1-ylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine

[5-[1-[(4-pyrazol-1-ylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 42637208) has the molecular formula C20H17N7O and a molecular weight of 371.40 g/mol. Its IUPAC name is [5-[1-[(4-pyrazol-1-ylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[1-[(4-pyrazol-1-ylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID42637208
Molecular FormulaC20H17N7O
Molecular Weight371.40 g/mol
Exact Mass371.15
IUPAC Name[5-[1-[(4-pyrazol-1-ylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(-c2nn(Cc3ccc(-n4cccn4)cc3)c3ccccc23)n1
InChIInChI=1S/C20H17N7O/c21-12-18-23-20(28-25-18)19-16-4-1-2-5-17(16)27(24-19)13-14-6-8-15(9-7-14)26-11-3-10-22-26/h1-11H,12-13,21H2
InChIKeyXBOLDSIHPNCOOP-UHFFFAOYSA-N
XLogP2.78
TPSA100.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1,2,4-Oxadiazole-3-methanamine, 5-[1-(phenylmethyl)-1H-indazol-3-yl]-
CID 22239024
[5-[2-(2-Thiophen-2-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
CID 67154106
N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]naphthalene-2-carboxamide
CID 67154121
3-ethyl-5-[5-(1-ethyl-5-phenylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-1H-pyridin-2-one
CID 136147416
US8785489, 5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-imidazole-2-carboxamide
CID 135887112
1,2,4-Oxadiazole-3-methanamine, 5-[2-(phenylmethyl)-2H-indazol-3-yl]-
CID 42637004
(5-(1-(3-Methylbenzyl)-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl)methanamine
CID 42637062
(5-(1-(3,5-Dimethylbenzyl)-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl)methanamine
CID 42637065
(5-(1-Phenethyl-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl)methanamine
CID 42637282
(5-(2-Phenethyl-2H-indazol-3-yl)-1,2,4-oxadiazol-3-yl)methanamine
CID 42637355
(5-(1H-Indazol-1-yl)-1,2,4-oxadiazol-3-yl)methanamine
CID 42637357
tert-butyl N-[[5-[1-[(2,3,5-trifluorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
CID 42637500

Frequently Asked Questions

What is the IUPAC name of [5-[1-[(4-pyrazol-1-ylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-[1-[(4-pyrazol-1-ylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine (CID 42637208) is [5-[1-[(4-pyrazol-1-ylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-[1-[(4-pyrazol-1-ylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-[1-[(4-pyrazol-1-ylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine is NCc1noc(-c2nn(Cc3ccc(-n4cccn4)cc3)c3ccccc23)n1.
What is the InChIKey of [5-[1-[(4-pyrazol-1-ylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is XBOLDSIHPNCOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O/c21-12-18-23-20(28-25-18)19-16-4-1-2-5-17(16)27(24-19)13-14-6-8-15(9-7-14)26-11-3-10-22-26/h1-11H,12-13,21H2.
What are the key properties of [5-[1-[(4-pyrazol-1-ylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
[5-[1-[(4-pyrazol-1-ylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 371.40 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-[(4-pyrazol-1-ylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 42637208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).