2-iodo-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide

C12H12IN3O2 — CID 19410901

IUPAC2-iodo-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
SMILESCOCn1cc(NC(=O)c2ccccc2I)cn1
InChIInChI=1S/C12H12IN3O2/c1-18-8-16-7-9(6-14-16)15-12(17)10-4-2-3-5-11(10)13/h2-7H,8H2,1H3,(H,15,17)
InChIKeyCZAFDHMQWMOIOK-UHFFFAOYSA-N
MW357.15 g/mol
LogP2.34
Rot. Bonds4

About 2-iodo-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide

2-iodo-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide (PubChem CID 19410901) has the molecular formula C12H12IN3O2 and a molecular weight of 357.15 g/mol. Its IUPAC name is 2-iodo-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
PubChem CID19410901
Molecular FormulaC12H12IN3O2
Molecular Weight357.15 g/mol
Exact Mass357.00
IUPAC Name2-iodo-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
SMILESCOCn1cc(NC(=O)c2ccccc2I)cn1
InChIInChI=1S/C12H12IN3O2/c1-18-8-16-7-9(6-14-16)15-12(17)10-4-2-3-5-11(10)13/h2-7H,8H2,1H3,(H,15,17)
InChIKeyCZAFDHMQWMOIOK-UHFFFAOYSA-N
XLogP2.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.15
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzamide
CID 19340670
2,3-dichloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19411065
2-iodo-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide
CID 95744832
4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19411114
2-chloro-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide
CID 19340469
2-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 54878147
3-fluoro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19410971
2-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]-5-methylsulfanylbenzamide
CID 19410939
N-[1-(methoxymethyl)pyrazol-4-yl]propanamide
CID 19411093
1-ethyl-N-[1-(methoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19262380
N-(1-ethylpyrazol-4-yl)-2-methylbenzamide
CID 51078638
N-[1-(methoxymethyl)pyrazol-4-yl]-4-nitrobenzamide
CID 19411100

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide?
The IUPAC name of 2-iodo-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide (CID 19410901) is 2-iodo-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 2-iodo-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 2-iodo-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide is COCn1cc(NC(=O)c2ccccc2I)cn1.
What is the InChIKey of 2-iodo-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide?
The InChIKey is CZAFDHMQWMOIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IN3O2/c1-18-8-16-7-9(6-14-16)15-12(17)10-4-2-3-5-11(10)13/h2-7H,8H2,1H3,(H,15,17).
What are the key properties of 2-iodo-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide?
2-iodo-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide has a molecular weight of 357.15 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 19410901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).