5-chloro-4-methoxy-1-(3-methoxypropyl)pyrazole

C8H13ClN2O2 — CID 117231713

IUPAC5-chloro-4-methoxy-1-(3-methoxypropyl)pyrazole
SMILESCOCCCn1ncc(OC)c1Cl
InChIInChI=1S/C8H13ClN2O2/c1-12-5-3-4-11-8(9)7(13-2)6-10-11/h6H,3-5H2,1-2H3
InChIKeySEXKFMOKXRFJGH-UHFFFAOYSA-N
MW204.66 g/mol
LogP1.58
Rot. Bonds5

About 5-chloro-4-methoxy-1-(3-methoxypropyl)pyrazole

5-chloro-4-methoxy-1-(3-methoxypropyl)pyrazole (PubChem CID 117231713) has the molecular formula C8H13ClN2O2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 5-chloro-4-methoxy-1-(3-methoxypropyl)pyrazole.

Molecular Properties

Compound Name5-chloro-4-methoxy-1-(3-methoxypropyl)pyrazole
PubChem CID117231713
Molecular FormulaC8H13ClN2O2
Molecular Weight204.66 g/mol
Exact Mass204.07
IUPAC Name5-chloro-4-methoxy-1-(3-methoxypropyl)pyrazole
SMILESCOCCCn1ncc(OC)c1Cl
InChIInChI=1S/C8H13ClN2O2/c1-12-5-3-4-11-8(9)7(13-2)6-10-11/h6H,3-5H2,1-2H3
InChIKeySEXKFMOKXRFJGH-UHFFFAOYSA-N
XLogP1.58
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-methoxy-1-(3-methoxypropyl)pyrazole
CID 117231715
5-chloro-1-(3-methoxypropyl)pyrazol-4-ol
CID 117231712
4-tert-butyl-5-chloro-1-(3-methoxypropyl)pyrazole
CID 118371019
4-[2-(5-chloro-4-methoxypyrazol-1-yl)ethyl]morpholine
CID 117233214
5-chloro-4-cyclopentyloxy-1-(2-methoxyethyl)pyrazole
CID 117231738
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-4-methoxybutan-1-ol
CID 114643797
5-bromo-1-(3-methoxypropyl)-4-phenoxypyrazole
CID 117231699
5-chloro-4-methoxy-1-(oxan-4-ylmethyl)pyrazole
CID 117231984
3-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-amine
CID 114648518
5-bromo-4-cyclohexyloxy-1-(3-methoxypropyl)pyrazole
CID 117231707
1-(3-methoxypropyl)-6-methylindazole
CID 66596206
2-(5-bromo-4-methoxypyrazol-1-yl)ethanol
CID 117231747

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methoxy-1-(3-methoxypropyl)pyrazole?
The IUPAC name of 5-chloro-4-methoxy-1-(3-methoxypropyl)pyrazole (CID 117231713) is 5-chloro-4-methoxy-1-(3-methoxypropyl)pyrazole.
What is the SMILES notation for 5-chloro-4-methoxy-1-(3-methoxypropyl)pyrazole?
The canonical SMILES for 5-chloro-4-methoxy-1-(3-methoxypropyl)pyrazole is COCCCn1ncc(OC)c1Cl.
What is the InChIKey of 5-chloro-4-methoxy-1-(3-methoxypropyl)pyrazole?
The InChIKey is SEXKFMOKXRFJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O2/c1-12-5-3-4-11-8(9)7(13-2)6-10-11/h6H,3-5H2,1-2H3.
What are the key properties of 5-chloro-4-methoxy-1-(3-methoxypropyl)pyrazole?
5-chloro-4-methoxy-1-(3-methoxypropyl)pyrazole has a molecular weight of 204.66 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methoxy-1-(3-methoxypropyl)pyrazole is sourced from PubChem (CID 117231713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).