5-iodo-4-methyl-1-(phenylmethoxymethyl)pyrazole

C12H13IN2O — CID 70663467

IUPAC5-iodo-4-methyl-1-(phenylmethoxymethyl)pyrazole
SMILESCc1cnn(COCc2ccccc2)c1I
InChIInChI=1S/C12H13IN2O/c1-10-7-14-15(12(10)13)9-16-8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3
InChIKeyQHBNDTHQKYRCBR-UHFFFAOYSA-N
MW328.15 g/mol
LogP2.97
Rot. Bonds4

About 5-iodo-4-methyl-1-(phenylmethoxymethyl)pyrazole

5-iodo-4-methyl-1-(phenylmethoxymethyl)pyrazole (PubChem CID 70663467) has the molecular formula C12H13IN2O and a molecular weight of 328.15 g/mol. Its IUPAC name is 5-iodo-4-methyl-1-(phenylmethoxymethyl)pyrazole.

Molecular Properties

Compound Name5-iodo-4-methyl-1-(phenylmethoxymethyl)pyrazole
PubChem CID70663467
Molecular FormulaC12H13IN2O
Molecular Weight328.15 g/mol
Exact Mass328.01
IUPAC Name5-iodo-4-methyl-1-(phenylmethoxymethyl)pyrazole
SMILESCc1cnn(COCc2ccccc2)c1I
InChIInChI=1S/C12H13IN2O/c1-10-7-14-15(12(10)13)9-16-8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3
InChIKeyQHBNDTHQKYRCBR-UHFFFAOYSA-N
XLogP2.97
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.15
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-iodo-4-methyl-1-(phenylmethoxymethyl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-2-(benzyloxy)-N-((1,5-dimethyl-1H-pyrazol-4-yl)methylene)ethanamine
CID 659658
(2-Benzyloxy-ethyl)-(1,3-dimethyl-1H-pyrazol-4-ylmethylene)-amine
CID 3131814
(4-Methylphenyl)methyl pyrazole-1-carboxylate
CID 118709052
(4-Methylphenyl)methyl 4-methylpyrazole-1-carboxylate
CID 118709053
(4-Methylphenyl)methyl 4-cyanopyrazole-1-carboxylate
CID 118709054
1-(Benzyloxy)-4-iodopyrazole
CID 10732942
1-[3-(benzyloxy)-1-methyl-1H-pyrazol-4-yl]methanamine hydrochloride
CID 165995955
Benzyl 4-iodo-1H-pyrazole-1-carboxylate
CID 68838020
1-[Methoxy(phenyl)methyl]pyrazole
CID 91244891
benzyl N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]carbamate
CID 71858072
1-Ethyl-5-[(2-fluorophenyl)methoxy]-4-methylpyrazole
CID 58764925
1-Ethyl-5-[(3-fluorophenyl)methoxy]-4-methylpyrazole
CID 58764939

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-methyl-1-(phenylmethoxymethyl)pyrazole?
The IUPAC name of 5-iodo-4-methyl-1-(phenylmethoxymethyl)pyrazole (CID 70663467) is 5-iodo-4-methyl-1-(phenylmethoxymethyl)pyrazole.
What is the SMILES notation for 5-iodo-4-methyl-1-(phenylmethoxymethyl)pyrazole?
The canonical SMILES for 5-iodo-4-methyl-1-(phenylmethoxymethyl)pyrazole is Cc1cnn(COCc2ccccc2)c1I.
What is the InChIKey of 5-iodo-4-methyl-1-(phenylmethoxymethyl)pyrazole?
The InChIKey is QHBNDTHQKYRCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN2O/c1-10-7-14-15(12(10)13)9-16-8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3.
What are the key properties of 5-iodo-4-methyl-1-(phenylmethoxymethyl)pyrazole?
5-iodo-4-methyl-1-(phenylmethoxymethyl)pyrazole has a molecular weight of 328.15 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-methyl-1-(phenylmethoxymethyl)pyrazole is sourced from PubChem (CID 70663467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).