4-iodo-1-methyl-N-[(4-methylphenyl)methoxy]pyrazole-5-carboxamide

C13H14IN3O2 — CID 4774257

IUPAC4-iodo-1-methyl-N-[(4-methylphenyl)methoxy]pyrazole-5-carboxamide
SMILESCc1ccc(CONC(=O)c2c(I)cnn2C)cc1
InChIInChI=1S/C13H14IN3O2/c1-9-3-5-10(6-4-9)8-19-16-13(18)12-11(14)7-15-17(12)2/h3-7H,8H2,1-2H3,(H,16,18)
InChIKeyQEUSMNAVDORXAK-UHFFFAOYSA-N
MW371.18 g/mol
LogP2.19
Rot. Bonds4

About 4-iodo-1-methyl-N-[(4-methylphenyl)methoxy]pyrazole-5-carboxamide

4-iodo-1-methyl-N-[(4-methylphenyl)methoxy]pyrazole-5-carboxamide (PubChem CID 4774257) has the molecular formula C13H14IN3O2 and a molecular weight of 371.18 g/mol. Its IUPAC name is 4-iodo-1-methyl-N-[(4-methylphenyl)methoxy]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-iodo-1-methyl-N-[(4-methylphenyl)methoxy]pyrazole-5-carboxamide
PubChem CID4774257
Molecular FormulaC13H14IN3O2
Molecular Weight371.18 g/mol
Exact Mass371.01
IUPAC Name4-iodo-1-methyl-N-[(4-methylphenyl)methoxy]pyrazole-5-carboxamide
SMILESCc1ccc(CONC(=O)c2c(I)cnn2C)cc1
InChIInChI=1S/C13H14IN3O2/c1-9-3-5-10(6-4-9)8-19-16-13(18)12-11(14)7-15-17(12)2/h3-7H,8H2,1-2H3,(H,16,18)
InChIKeyQEUSMNAVDORXAK-UHFFFAOYSA-N
XLogP2.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.18
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethylphenyl)-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476120
N-[(4-fluorophenyl)methyl]-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476046
N-[(4-methylphenyl)methoxy]benzamide
CID 2366824
N-tert-butyl-4-iodo-1-methylpyrazole-5-carboxamide
CID 19577504
N-butan-2-yl-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476123
(2-methoxy-2-oxoethyl) 4-iodo-1-methylpyrazole-5-carboxylate
CID 4767375
4-iodo-1-methyl-N-naphthalen-1-ylpyrazole-5-carboxamide
CID 1301795
methyl 4-[4-(aminomethyl)phenyl]-1-methylpyrazole-5-carboxylate
CID 164928869
N-cyclopentyl-4-iodo-1-methylpyrazole-5-carboxamide
CID 903286
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476253
N-cyclohexyl-4-iodo-1-methylpyrazole-5-carboxamide
CID 713201
N-[1-(4-butan-2-ylphenyl)propyl]-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476113

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-methyl-N-[(4-methylphenyl)methoxy]pyrazole-5-carboxamide?
The IUPAC name of 4-iodo-1-methyl-N-[(4-methylphenyl)methoxy]pyrazole-5-carboxamide (CID 4774257) is 4-iodo-1-methyl-N-[(4-methylphenyl)methoxy]pyrazole-5-carboxamide.
What is the SMILES notation for 4-iodo-1-methyl-N-[(4-methylphenyl)methoxy]pyrazole-5-carboxamide?
The canonical SMILES for 4-iodo-1-methyl-N-[(4-methylphenyl)methoxy]pyrazole-5-carboxamide is Cc1ccc(CONC(=O)c2c(I)cnn2C)cc1.
What is the InChIKey of 4-iodo-1-methyl-N-[(4-methylphenyl)methoxy]pyrazole-5-carboxamide?
The InChIKey is QEUSMNAVDORXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14IN3O2/c1-9-3-5-10(6-4-9)8-19-16-13(18)12-11(14)7-15-17(12)2/h3-7H,8H2,1-2H3,(H,16,18).
What are the key properties of 4-iodo-1-methyl-N-[(4-methylphenyl)methoxy]pyrazole-5-carboxamide?
4-iodo-1-methyl-N-[(4-methylphenyl)methoxy]pyrazole-5-carboxamide has a molecular weight of 371.18 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-methyl-N-[(4-methylphenyl)methoxy]pyrazole-5-carboxamide is sourced from PubChem (CID 4774257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).