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

C11H16N6O2 — CID 106391325

IUPAC4-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1nc(CNC(=O)c2n[nH]c(C(C)C)c2N)no1
InChIInChI=1S/C11H16N6O2/c1-5(2)9-8(12)10(16-15-9)11(18)13-4-7-14-6(3)19-17-7/h5H,4,12H2,1-3H3,(H,13,18)(H,15,16)
InChIKeyYYDNCOSJSUTQRE-UHFFFAOYSA-N
MW264.29 g/mol
LogP0.74
Rot. Bonds4

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

4-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 106391325) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is 4-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID106391325
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name4-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1nc(CNC(=O)c2n[nH]c(C(C)C)c2N)no1
InChIInChI=1S/C11H16N6O2/c1-5(2)9-8(12)10(16-15-9)11(18)13-4-7-14-6(3)19-17-7/h5H,4,12H2,1-3H3,(H,13,18)(H,15,16)
InChIKeyYYDNCOSJSUTQRE-UHFFFAOYSA-N
XLogP0.74
TPSA122.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 106391325) is 4-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is Cc1nc(CNC(=O)c2n[nH]c(C(C)C)c2N)no1.
What is the InChIKey of 4-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is YYDNCOSJSUTQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c1-5(2)9-8(12)10(16-15-9)11(18)13-4-7-14-6(3)19-17-7/h5H,4,12H2,1-3H3,(H,13,18)(H,15,16).
What are the key properties of 4-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 264.29 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 106391325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).