4-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide

C13H12N6O2 — CID 62687600

IUPAC4-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)Nc1ccccc1Cn1cccn1
InChIInChI=1S/C13H12N6O2/c14-12-11(17-21-18-12)13(20)16-10-5-2-1-4-9(10)8-19-7-3-6-15-19/h1-7H,8H2,(H2,14,18)(H,16,20)
InChIKeyILMJGPQYQOLTGM-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.15
Rot. Bonds4

About 4-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide

4-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62687600) has the molecular formula C13H12N6O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is 4-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID62687600
Molecular FormulaC13H12N6O2
Molecular Weight284.28 g/mol
Exact Mass284.10
IUPAC Name4-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)Nc1ccccc1Cn1cccn1
InChIInChI=1S/C13H12N6O2/c14-12-11(17-21-18-12)13(20)16-10-5-2-1-4-9(10)8-19-7-3-6-15-19/h1-7H,8H2,(H2,14,18)(H,16,20)
InChIKeyILMJGPQYQOLTGM-UHFFFAOYSA-N
XLogP1.15
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-[2-(ethoxymethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62685947
4-amino-N-[2-[(dimethylamino)methyl]phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 55103614
2-nitro-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 43068749
2-(1-aminocyclobutyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 79843343
(E)-4-oxo-4-[2-(pyrazol-1-ylmethyl)anilino]but-2-enoic acid
CID 60941126
2-amino-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 43705539
(2S,3S)-2-amino-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 61179643
4-amino-N-(4-bromo-2-ethylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 81292624
5-phenyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 56797332
3-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]oxolane-3-carboxamide
CID 64892317
4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-3-pyrrol-1-ylbenzamide
CID 46427634
ethyl 3-nitro-5-[[2-(pyrazol-1-ylmethyl)phenyl]carbamoyl]benzoate
CID 43068785

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide (CID 62687600) is 4-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide is Nc1nonc1C(=O)Nc1ccccc1Cn1cccn1.
What is the InChIKey of 4-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is ILMJGPQYQOLTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O2/c14-12-11(17-21-18-12)13(20)16-10-5-2-1-4-9(10)8-19-7-3-6-15-19/h1-7H,8H2,(H2,14,18)(H,16,20).
What are the key properties of 4-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 284.28 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62687600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).