N-[(4-fluorophenyl)methyl]-4-iodo-1-methylpyrazole-5-carboxamide

C12H11FIN3O — CID 19476046

IUPACN-[(4-fluorophenyl)methyl]-4-iodo-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(I)c1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C12H11FIN3O/c1-17-11(10(14)7-16-17)12(18)15-6-8-2-4-9(13)5-3-8/h2-5,7H,6H2,1H3,(H,15,18)
InChIKeyYDWLKBGQXMHXFF-UHFFFAOYSA-N
MW359.14 g/mol
LogP2.09
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-4-iodo-1-methylpyrazole-5-carboxamide

N-[(4-fluorophenyl)methyl]-4-iodo-1-methylpyrazole-5-carboxamide (PubChem CID 19476046) has the molecular formula C12H11FIN3O and a molecular weight of 359.14 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-iodo-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-iodo-1-methylpyrazole-5-carboxamide
PubChem CID19476046
Molecular FormulaC12H11FIN3O
Molecular Weight359.14 g/mol
Exact Mass358.99
IUPAC NameN-[(4-fluorophenyl)methyl]-4-iodo-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(I)c1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C12H11FIN3O/c1-17-11(10(14)7-16-17)12(18)15-6-8-2-4-9(13)5-3-8/h2-5,7H,6H2,1H3,(H,15,18)
InChIKeyYDWLKBGQXMHXFF-UHFFFAOYSA-N
XLogP2.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.14
LogP ≤ 52.09
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

6-tert-butyl-N-[(4-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134788948
1,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 154780893
5-[(4-fluorophenyl)methylcarbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 4777142
N-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822185
5-amino-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 122171425
N-tert-butyl-4-iodo-1-methylpyrazole-5-carboxamide
CID 19577504
4-amino-N-[(2,4-difluorophenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 65360048
N-benzyl-1-methyl-4-nitropyrazole-5-carboxamide
CID 747520
6-(4-fluorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134787979
N-[(4-fluorophenyl)methyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389004
N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 18148195
4-tert-butyl-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 20627948

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-iodo-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-iodo-1-methylpyrazole-5-carboxamide (CID 19476046) is N-[(4-fluorophenyl)methyl]-4-iodo-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-iodo-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-iodo-1-methylpyrazole-5-carboxamide is Cn1ncc(I)c1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-iodo-1-methylpyrazole-5-carboxamide?
The InChIKey is YDWLKBGQXMHXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FIN3O/c1-17-11(10(14)7-16-17)12(18)15-6-8-2-4-9(13)5-3-8/h2-5,7H,6H2,1H3,(H,15,18).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-iodo-1-methylpyrazole-5-carboxamide?
N-[(4-fluorophenyl)methyl]-4-iodo-1-methylpyrazole-5-carboxamide has a molecular weight of 359.14 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-iodo-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 19476046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).