N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1-methylpyrazole-3-carboxamide

C10H11IN4O2 — CID 19262144

IUPACN-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1-methylpyrazole-3-carboxamide
SMILESCc1noc(C)c1NC(=O)c1nn(C)cc1I
InChIInChI=1S/C10H11IN4O2/c1-5-8(6(2)17-14-5)12-10(16)9-7(11)4-15(3)13-9/h4H,1-3H3,(H,12,16)
InChIKeyYTGBFDNVPSVILK-UHFFFAOYSA-N
MW346.13 g/mol
LogP1.88
Rot. Bonds2

About N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1-methylpyrazole-3-carboxamide

N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1-methylpyrazole-3-carboxamide (PubChem CID 19262144) has the molecular formula C10H11IN4O2 and a molecular weight of 346.13 g/mol. Its IUPAC name is N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1-methylpyrazole-3-carboxamide
PubChem CID19262144
Molecular FormulaC10H11IN4O2
Molecular Weight346.13 g/mol
Exact Mass345.99
IUPAC NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1-methylpyrazole-3-carboxamide
SMILESCc1noc(C)c1NC(=O)c1nn(C)cc1I
InChIInChI=1S/C10H11IN4O2/c1-5-8(6(2)17-14-5)12-10(16)9-7(11)4-15(3)13-9/h4H,1-3H3,(H,12,16)
InChIKeyYTGBFDNVPSVILK-UHFFFAOYSA-N
XLogP1.88
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.13
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1-methylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-iodo-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide
CID 19262071
N-ethyl-4-iodo-1-methylpyrazole-3-carboxamide
CID 19262123
N-(2-fluoro-5-methylphenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 19261955
N-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 19262072
N-(1,3-benzothiazol-2-yl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 1019747
N-(3,4-difluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 5301131
4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazole-5-carboxamide
CID 19475234
N-(3-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 5301133
3-[(2,6-dimethylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19496533
N-(4-bromo-2-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 19261907
4-iodo-1-methyl-N-(3-methylbut-2-enyl)pyrazole-3-carboxamide
CID 167783297
4-iodo-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 4617866

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1-methylpyrazole-3-carboxamide (CID 19262144) is N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1-methylpyrazole-3-carboxamide is Cc1noc(C)c1NC(=O)c1nn(C)cc1I.
What is the InChIKey of N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1-methylpyrazole-3-carboxamide?
The InChIKey is YTGBFDNVPSVILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN4O2/c1-5-8(6(2)17-14-5)12-10(16)9-7(11)4-15(3)13-9/h4H,1-3H3,(H,12,16).
What are the key properties of N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1-methylpyrazole-3-carboxamide?
N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1-methylpyrazole-3-carboxamide has a molecular weight of 346.13 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19262144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).