N-(3,4-difluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide

C11H8F2IN3O — CID 5301131

IUPACN-(3,4-difluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
SMILESCn1cc(I)c(C(=O)Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C11H8F2IN3O/c1-17-5-9(14)10(16-17)11(18)15-6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H,15,18)
InChIKeySIOZGCOBJGGYSP-UHFFFAOYSA-N
MW363.11 g/mol
LogP2.56
Rot. Bonds2

About N-(3,4-difluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide

N-(3,4-difluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide (PubChem CID 5301131) has the molecular formula C11H8F2IN3O and a molecular weight of 363.11 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
PubChem CID5301131
Molecular FormulaC11H8F2IN3O
Molecular Weight363.11 g/mol
Exact Mass362.97
IUPAC NameN-(3,4-difluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
SMILESCn1cc(I)c(C(=O)Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C11H8F2IN3O/c1-17-5-9(14)10(16-17)11(18)15-6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H,15,18)
InChIKeySIOZGCOBJGGYSP-UHFFFAOYSA-N
XLogP2.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.11
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 5301133
N-(2-fluoro-5-methylphenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 19261955
N-(4-bromo-2-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 19261907
4-iodo-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 4617866
4-iodo-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide
CID 19262071
3-N,5-N-bis(3,4-difluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097127
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 19262034
N-[2-(difluoromethoxy)-4-fluorophenyl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 19262147
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 19579243
N-(2-benzoyl-4-chlorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 19261901
N-ethyl-4-iodo-1-methylpyrazole-3-carboxamide
CID 19262123
3-(azepan-1-ylsulfonyl)-N-(3,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 53143001

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide (CID 5301131) is N-(3,4-difluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide is Cn1cc(I)c(C(=O)Nc2ccc(F)c(F)c2)n1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide?
The InChIKey is SIOZGCOBJGGYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2IN3O/c1-17-5-9(14)10(16-17)11(18)15-6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H,15,18).
What are the key properties of N-(3,4-difluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide?
N-(3,4-difluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide has a molecular weight of 363.11 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 5301131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).