4-iodo-1-(3-methoxypropyl)-3,5-dimethylpyrazole

C9H15IN2O — CID 79785419

IUPAC4-iodo-1-(3-methoxypropyl)-3,5-dimethylpyrazole
SMILESCOCCCn1nc(C)c(I)c1C
InChIInChI=1S/C9H15IN2O/c1-7-9(10)8(2)12(11-7)5-4-6-13-3/h4-6H2,1-3H3
InChIKeyDLWRBTLJPCKEER-UHFFFAOYSA-N
MW294.14 g/mol
LogP2.14
Rot. Bonds4

About 4-iodo-1-(3-methoxypropyl)-3,5-dimethylpyrazole

4-iodo-1-(3-methoxypropyl)-3,5-dimethylpyrazole (PubChem CID 79785419) has the molecular formula C9H15IN2O and a molecular weight of 294.14 g/mol. Its IUPAC name is 4-iodo-1-(3-methoxypropyl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name4-iodo-1-(3-methoxypropyl)-3,5-dimethylpyrazole
PubChem CID79785419
Molecular FormulaC9H15IN2O
Molecular Weight294.14 g/mol
Exact Mass294.02
IUPAC Name4-iodo-1-(3-methoxypropyl)-3,5-dimethylpyrazole
SMILESCOCCCn1nc(C)c(I)c1C
InChIInChI=1S/C9H15IN2O/c1-7-9(10)8(2)12(11-7)5-4-6-13-3/h4-6H2,1-3H3
InChIKeyDLWRBTLJPCKEER-UHFFFAOYSA-N
XLogP2.14
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-iodo-1-(3-methoxypropyl)-3,5-dimethylpyrazole 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

4-iodo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,5-dimethylpyrazole
CID 104568877
4-iodo-3,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazole
CID 79785606
4-iodo-3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole
CID 112592599
4-(1-chloroethyl)-1-(3-methoxypropyl)-3,5-dimethylpyrazole
CID 62731648
N-[[1-(3-methoxypropyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 60925347
1-ethyl-4-iodo-3,5-dimethylpyrazole
CID 51063680
N-[1-[1-(3-methoxypropyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
CID 62731914
1-(4-methoxybutyl)-3,5-dimethylpyrazole-4-sulfonyl chloride
CID 104648864
1-(3-aminopropyl)-N-(4-methoxybutyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 106054114
N-(2-methoxyethyl)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine
CID 62567391
1-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-(4-iodo-3,5-dimethylpyrazol-1-yl)butan-1-one
CID 5305220
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62565277

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-(3-methoxypropyl)-3,5-dimethylpyrazole?
The IUPAC name of 4-iodo-1-(3-methoxypropyl)-3,5-dimethylpyrazole (CID 79785419) is 4-iodo-1-(3-methoxypropyl)-3,5-dimethylpyrazole.
What is the SMILES notation for 4-iodo-1-(3-methoxypropyl)-3,5-dimethylpyrazole?
The canonical SMILES for 4-iodo-1-(3-methoxypropyl)-3,5-dimethylpyrazole is COCCCn1nc(C)c(I)c1C.
What is the InChIKey of 4-iodo-1-(3-methoxypropyl)-3,5-dimethylpyrazole?
The InChIKey is DLWRBTLJPCKEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15IN2O/c1-7-9(10)8(2)12(11-7)5-4-6-13-3/h4-6H2,1-3H3.
What are the key properties of 4-iodo-1-(3-methoxypropyl)-3,5-dimethylpyrazole?
4-iodo-1-(3-methoxypropyl)-3,5-dimethylpyrazole has a molecular weight of 294.14 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-(3-methoxypropyl)-3,5-dimethylpyrazole is sourced from PubChem (CID 79785419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).