3-amino-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-phenyl-1H-pyrazole-5-carboxamide

C16H18N6O2 — CID 90649073

IUPAC3-amino-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-phenyl-1H-pyrazole-5-carboxamide
SMILESCc1nc(CCN(C)C(=O)c2[nH]nc(N)c2-c2ccccc2)no1
InChIInChI=1S/C16H18N6O2/c1-10-18-12(21-24-10)8-9-22(2)16(23)14-13(15(17)20-19-14)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H3,17,19,20)
InChIKeyPJHLECBQXCKQFN-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.67
Rot. Bonds5

About 3-amino-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-phenyl-1H-pyrazole-5-carboxamide

3-amino-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 90649073) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-phenyl-1H-pyrazole-5-carboxamide
PubChem CID90649073
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name3-amino-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-phenyl-1H-pyrazole-5-carboxamide
SMILESCc1nc(CCN(C)C(=O)c2[nH]nc(N)c2-c2ccccc2)no1
InChIInChI=1S/C16H18N6O2/c1-10-18-12(21-24-10)8-9-22(2)16(23)14-13(15(17)20-19-14)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H3,17,19,20)
InChIKeyPJHLECBQXCKQFN-UHFFFAOYSA-N
XLogP1.67
TPSA113.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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3-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea
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3-[N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]anilino]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-phenyl-1H-pyrazole-5-carboxamide (CID 90649073) is 3-amino-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-phenyl-1H-pyrazole-5-carboxamide is Cc1nc(CCN(C)C(=O)c2[nH]nc(N)c2-c2ccccc2)no1.
What is the InChIKey of 3-amino-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is PJHLECBQXCKQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-10-18-12(21-24-10)8-9-22(2)16(23)14-13(15(17)20-19-14)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H3,17,19,20).
What are the key properties of 3-amino-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-phenyl-1H-pyrazole-5-carboxamide?
3-amino-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 90649073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).