N-cyclopropyl-3-[(4-iodo-3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

C12H14IN5O2 — CID 17082850

IUPACN-cyclopropyl-3-[(4-iodo-3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1nn(Cc2noc(C(=O)NC3CC3)n2)c(C)c1I
InChIInChI=1S/C12H14IN5O2/c1-6-10(13)7(2)18(16-6)5-9-15-12(20-17-9)11(19)14-8-3-4-8/h8H,3-5H2,1-2H3,(H,14,19)
InChIKeyHQHWRAKRZMBVCF-UHFFFAOYSA-N
MW387.18 g/mol
LogP1.43
Rot. Bonds4

About N-cyclopropyl-3-[(4-iodo-3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

N-cyclopropyl-3-[(4-iodo-3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 17082850) has the molecular formula C12H14IN5O2 and a molecular weight of 387.18 g/mol. Its IUPAC name is N-cyclopropyl-3-[(4-iodo-3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(4-iodo-3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID17082850
Molecular FormulaC12H14IN5O2
Molecular Weight387.18 g/mol
Exact Mass387.02
IUPAC NameN-cyclopropyl-3-[(4-iodo-3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1nn(Cc2noc(C(=O)NC3CC3)n2)c(C)c1I
InChIInChI=1S/C12H14IN5O2/c1-6-10(13)7(2)18(16-6)5-9-15-12(20-17-9)11(19)14-8-3-4-8/h8H,3-5H2,1-2H3,(H,14,19)
InChIKeyHQHWRAKRZMBVCF-UHFFFAOYSA-N
XLogP1.43
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.18
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083047
3-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]-N-cyclopropyl-1,2,4-oxadiazole-5-carboxamide
CID 17083087
N-[2-[(4-chlorobenzoyl)amino]ethyl]-3-[(4-iodo-3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084725
3-[(4-iodo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 17082860
3-[(4-iodo-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084738
3-[(4-iodo-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-[(3-methyl-4-nitrobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084762
3-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]-N-[2-[[2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084857
N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-3-[(4-iodo-3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084767
N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]-3-[(4-iodo-3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084757
3-[(3,5-dimethyl-4-nitrosopyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide
CID 123540716
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 26414662
3-[(4-iodo-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084755

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(4-iodo-3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-3-[(4-iodo-3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (CID 17082850) is N-cyclopropyl-3-[(4-iodo-3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-[(4-iodo-3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-3-[(4-iodo-3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is Cc1nn(Cc2noc(C(=O)NC3CC3)n2)c(C)c1I.
What is the InChIKey of N-cyclopropyl-3-[(4-iodo-3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is HQHWRAKRZMBVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14IN5O2/c1-6-10(13)7(2)18(16-6)5-9-15-12(20-17-9)11(19)14-8-3-4-8/h8H,3-5H2,1-2H3,(H,14,19).
What are the key properties of N-cyclopropyl-3-[(4-iodo-3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
N-cyclopropyl-3-[(4-iodo-3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 387.18 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(4-iodo-3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 17082850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).