5-chloro-1-(3-methoxypropyl)pyrazol-4-ol

C7H11ClN2O2 — CID 117231712

IUPAC5-chloro-1-(3-methoxypropyl)pyrazol-4-ol
SMILESCOCCCn1ncc(O)c1Cl
InChIInChI=1S/C7H11ClN2O2/c1-12-4-2-3-10-7(8)6(11)5-9-10/h5,11H,2-4H2,1H3
InChIKeyXCRISEZWMKTMRR-UHFFFAOYSA-N
MW190.63 g/mol
LogP1.28
Rot. Bonds4

About 5-chloro-1-(3-methoxypropyl)pyrazol-4-ol

5-chloro-1-(3-methoxypropyl)pyrazol-4-ol (PubChem CID 117231712) has the molecular formula C7H11ClN2O2 and a molecular weight of 190.63 g/mol. Its IUPAC name is 5-chloro-1-(3-methoxypropyl)pyrazol-4-ol.

Molecular Properties

Compound Name5-chloro-1-(3-methoxypropyl)pyrazol-4-ol
PubChem CID117231712
Molecular FormulaC7H11ClN2O2
Molecular Weight190.63 g/mol
Exact Mass190.05
IUPAC Name5-chloro-1-(3-methoxypropyl)pyrazol-4-ol
SMILESCOCCCn1ncc(O)c1Cl
InChIInChI=1S/C7H11ClN2O2/c1-12-4-2-3-10-7(8)6(11)5-9-10/h5,11H,2-4H2,1H3
InChIKeyXCRISEZWMKTMRR-UHFFFAOYSA-N
XLogP1.28
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-methoxy-1-(3-methoxypropyl)pyrazole
CID 117231713
4-tert-butyl-5-chloro-1-(3-methoxypropyl)pyrazole
CID 118371019
5-bromo-4-methoxy-1-(3-methoxypropyl)pyrazole
CID 117231715
1-(3-methoxypropyl)-6-methylindazole
CID 66596206
ethyl 5-amino-1-(3-methoxypropyl)pyrazole-4-carboxylate
CID 67020934
2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanol
CID 114662418
6-iodo-1-(4-methoxybutyl)indazole
CID 104650837
2-[[4-amino-1-(3-methoxypropyl)pyrazol-5-yl]amino]acetic acid
CID 58913976
4-chloro-5-hydroxy-2-pentylpyridazin-3-one
CID 54683702
5-chloro-1-[(4-fluorophenyl)methyl]pyrazol-4-ol
CID 117232697
5-N-(2-aminoethyl)-1-(3-methoxypropyl)pyrazole-4,5-diamine
CID 58913962
5-chloro-4-cyclopentyloxy-1-(2-methoxyethyl)pyrazole
CID 117231738

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(3-methoxypropyl)pyrazol-4-ol?
The IUPAC name of 5-chloro-1-(3-methoxypropyl)pyrazol-4-ol (CID 117231712) is 5-chloro-1-(3-methoxypropyl)pyrazol-4-ol.
What is the SMILES notation for 5-chloro-1-(3-methoxypropyl)pyrazol-4-ol?
The canonical SMILES for 5-chloro-1-(3-methoxypropyl)pyrazol-4-ol is COCCCn1ncc(O)c1Cl.
What is the InChIKey of 5-chloro-1-(3-methoxypropyl)pyrazol-4-ol?
The InChIKey is XCRISEZWMKTMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O2/c1-12-4-2-3-10-7(8)6(11)5-9-10/h5,11H,2-4H2,1H3.
What are the key properties of 5-chloro-1-(3-methoxypropyl)pyrazol-4-ol?
5-chloro-1-(3-methoxypropyl)pyrazol-4-ol has a molecular weight of 190.63 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(3-methoxypropyl)pyrazol-4-ol is sourced from PubChem (CID 117231712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).