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

C10H13N5O2 — CID 54903055

IUPAC3,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESCc1noc(CNC(=O)c2c(C)n[nH]c2C)n1
InChIInChI=1S/C10H13N5O2/c1-5-9(6(2)14-13-5)10(16)11-4-8-12-7(3)15-17-8/h4H2,1-3H3,(H,11,16)(H,13,14)
InChIKeyPKYWLTQIPREPCK-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.65
Rot. Bonds3

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

3,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 54903055) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID54903055
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name3,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESCc1noc(CNC(=O)c2c(C)n[nH]c2C)n1
InChIInChI=1S/C10H13N5O2/c1-5-9(6(2)14-13-5)10(16)11-4-8-12-7(3)15-17-8/h4H2,1-3H3,(H,11,16)(H,13,14)
InChIKeyPKYWLTQIPREPCK-UHFFFAOYSA-N
XLogP0.65
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide (CID 54903055) is 3,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide is Cc1noc(CNC(=O)c2c(C)n[nH]c2C)n1.
What is the InChIKey of 3,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is PKYWLTQIPREPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-5-9(6(2)14-13-5)10(16)11-4-8-12-7(3)15-17-8/h4H2,1-3H3,(H,11,16)(H,13,14).
What are the key properties of 3,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide?
3,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 235.25 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 54903055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).