4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2,5-oxadiazole-3-carboxamide

C8H10N6O2 — CID 62688490

IUPAC4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2,5-oxadiazole-3-carboxamide
SMILESCc1n[nH]c(C)c1NC(=O)c1nonc1N
InChIInChI=1S/C8H10N6O2/c1-3-5(4(2)12-11-3)10-8(15)6-7(9)14-16-13-6/h1-2H3,(H2,9,14)(H,10,15)(H,11,12)
InChIKeyBQAOJIKXIXKMOG-UHFFFAOYSA-N
MW222.21 g/mol
LogP0.24
Rot. Bonds2

About 4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2,5-oxadiazole-3-carboxamide

4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62688490) has the molecular formula C8H10N6O2 and a molecular weight of 222.21 g/mol. Its IUPAC name is 4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID62688490
Molecular FormulaC8H10N6O2
Molecular Weight222.21 g/mol
Exact Mass222.09
IUPAC Name4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2,5-oxadiazole-3-carboxamide
SMILESCc1n[nH]c(C)c1NC(=O)c1nonc1N
InChIInChI=1S/C8H10N6O2/c1-3-5(4(2)12-11-3)10-8(15)6-7(9)14-16-13-6/h1-2H3,(H2,9,14)(H,10,15)(H,11,12)
InChIKeyBQAOJIKXIXKMOG-UHFFFAOYSA-N
XLogP0.24
TPSA122.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2,5-oxadiazole-3-carboxamide (CID 62688490) is 4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2,5-oxadiazole-3-carboxamide is Cc1n[nH]c(C)c1NC(=O)c1nonc1N.
What is the InChIKey of 4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is BQAOJIKXIXKMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O2/c1-3-5(4(2)12-11-3)10-8(15)6-7(9)14-16-13-6/h1-2H3,(H2,9,14)(H,10,15)(H,11,12).
What are the key properties of 4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 222.21 g/mol, XLogP of 0.24, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62688490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).