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

C10H13N5O2 — CID 146086539

IUPAC2,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2nc(C)no2)n(C)n1
InChIInChI=1S/C10H13N5O2/c1-6-4-8(15(3)13-6)10(16)11-5-9-12-7(2)14-17-9/h4H,5H2,1-3H3,(H,11,16)
InChIKeyIALOMACTTIYSQE-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.35
Rot. Bonds3

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

2,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide (PubChem CID 146086539) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide
PubChem CID146086539
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name2,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2nc(C)no2)n(C)n1
InChIInChI=1S/C10H13N5O2/c1-6-4-8(15(3)13-6)10(16)11-5-9-12-7(2)14-17-9/h4H,5H2,1-3H3,(H,11,16)
InChIKeyIALOMACTTIYSQE-UHFFFAOYSA-N
XLogP0.35
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 54903625
methyl N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 115612439
2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide
CID 4768902
3-iodo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 61400580
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine;hydroiodide
CID 111278778
2,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide
CID 87024503
4-(methylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
CID 62176835
2-bromo-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 54903528
1,3-dimethyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyrazole-4-carboxylic acid
CID 63757598
6-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
CID 55052629
N-(1,3-benzothiazol-2-ylmethyl)-2,5-dimethylpyrazole-3-carboxamide
CID 11637801
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 19481238

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide (CID 146086539) is 2,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide is Cc1cc(C(=O)NCc2nc(C)no2)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is IALOMACTTIYSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-6-4-8(15(3)13-6)10(16)11-5-9-12-7(2)14-17-9/h4H,5H2,1-3H3,(H,11,16).
What are the key properties of 2,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide?
2,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 235.25 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 146086539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).