N-(2-iodo-5-methoxyphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

C17H15IN4O2 — CID 154806253

IUPACN-(2-iodo-5-methoxyphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCOc1ccc(I)c(NC(=O)c2cnn(-c3ccccn3)c2C)c1
InChIInChI=1S/C17H15IN4O2/c1-11-13(10-20-22(11)16-5-3-4-8-19-16)17(23)21-15-9-12(24-2)6-7-14(15)18/h3-10H,1-2H3,(H,21,23)
InChIKeyUQMRJSPNFFDMSQ-UHFFFAOYSA-N
MW434.24 g/mol
LogP3.44
Rot. Bonds4

About N-(2-iodo-5-methoxyphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

N-(2-iodo-5-methoxyphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 154806253) has the molecular formula C17H15IN4O2 and a molecular weight of 434.24 g/mol. Its IUPAC name is N-(2-iodo-5-methoxyphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-iodo-5-methoxyphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID154806253
Molecular FormulaC17H15IN4O2
Molecular Weight434.24 g/mol
Exact Mass434.02
IUPAC NameN-(2-iodo-5-methoxyphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCOc1ccc(I)c(NC(=O)c2cnn(-c3ccccn3)c2C)c1
InChIInChI=1S/C17H15IN4O2/c1-11-13(10-20-22(11)16-5-3-4-8-19-16)17(23)21-15-9-12(24-2)6-7-14(15)18/h3-10H,1-2H3,(H,21,23)
InChIKeyUQMRJSPNFFDMSQ-UHFFFAOYSA-N
XLogP3.44
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.24
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 15944141
N-(2-fluorophenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944125
N-(2,5-difluorophenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 24825171
5-methyl-1-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 108793336
5-methyl-N-(2-propoxyphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 39093834
5-methyl-1-pyridin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 15944140
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 39821356
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
5-methyl-N-[2-(methylsulfinylmethyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 139004120
5-methyl-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 100610981
N-tert-butyl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 47166966
N-(3-ethylphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944134

Frequently Asked Questions

What is the IUPAC name of N-(2-iodo-5-methoxyphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2-iodo-5-methoxyphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 154806253) is N-(2-iodo-5-methoxyphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-iodo-5-methoxyphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-iodo-5-methoxyphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide is COc1ccc(I)c(NC(=O)c2cnn(-c3ccccn3)c2C)c1.
What is the InChIKey of N-(2-iodo-5-methoxyphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is UQMRJSPNFFDMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15IN4O2/c1-11-13(10-20-22(11)16-5-3-4-8-19-16)17(23)21-15-9-12(24-2)6-7-14(15)18/h3-10H,1-2H3,(H,21,23).
What are the key properties of N-(2-iodo-5-methoxyphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
N-(2-iodo-5-methoxyphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 434.24 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodo-5-methoxyphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 154806253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).