3-(dimethoxymethyl)-1-(3-methoxypropyl)pyrazole

C10H18N2O3 — CID 118157634

IUPAC3-(dimethoxymethyl)-1-(3-methoxypropyl)pyrazole
SMILESCOCCCn1ccc(C(OC)OC)n1
InChIInChI=1S/C10H18N2O3/c1-13-8-4-6-12-7-5-9(11-12)10(14-2)15-3/h5,7,10H,4,6,8H2,1-3H3
InChIKeyLINQFCZPECALHX-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.21
Rot. Bonds7

About 3-(dimethoxymethyl)-1-(3-methoxypropyl)pyrazole

3-(dimethoxymethyl)-1-(3-methoxypropyl)pyrazole (PubChem CID 118157634) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-(dimethoxymethyl)-1-(3-methoxypropyl)pyrazole.

Molecular Properties

Compound Name3-(dimethoxymethyl)-1-(3-methoxypropyl)pyrazole
PubChem CID118157634
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name3-(dimethoxymethyl)-1-(3-methoxypropyl)pyrazole
SMILESCOCCCn1ccc(C(OC)OC)n1
InChIInChI=1S/C10H18N2O3/c1-13-8-4-6-12-7-5-9(11-12)10(14-2)15-3/h5,7,10H,4,6,8H2,1-3H3
InChIKeyLINQFCZPECALHX-UHFFFAOYSA-N
XLogP1.21
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxypropyl)-3-propan-2-ylpyrazole
CID 129255782
1-[1-(3-methoxypropyl)pyrazol-3-yl]propane-1,3-diol
CID 119055086
azanide;copper;dibromocopper;3-(dimethoxymethyl)-1-[2-[3-(dimethoxymethyl)pyrazol-1-yl]ethyl]pyrazole;hydrate
CID 5231895
3-(dimethoxymethyl)-1-[(3-methoxyphenyl)methyl]pyrazole
CID 174759422
3-(dimethoxymethyl)-1-propan-2-ylpyrazole
CID 58977167
1-[2-(3-methoxypropoxy)ethyl]-3-methylpyrazole
CID 103184144
3-methoxy-6-[3-[1-(3-methoxypropyl)pyrazol-3-yl]phenyl]pyridazine
CID 31125984
3-iodo-1-(2-methoxyethyl)pyrazole
CID 79788054
ethane;1-(2-methoxyethyl)-3-methylpyrazole
CID 153333995
1-(3-methoxypropyl)-3-nitropyrazole;1-(3-methoxypropyl)-5-nitropyrazole
CID 160625795
3-iodo-1-(3-methoxypropyl)-1,2,4-triazole
CID 79784716
4-chloro-3-iodo-1-(3-methoxypropyl)pyrazole
CID 79785533

Frequently Asked Questions

What is the IUPAC name of 3-(dimethoxymethyl)-1-(3-methoxypropyl)pyrazole?
The IUPAC name of 3-(dimethoxymethyl)-1-(3-methoxypropyl)pyrazole (CID 118157634) is 3-(dimethoxymethyl)-1-(3-methoxypropyl)pyrazole.
What is the SMILES notation for 3-(dimethoxymethyl)-1-(3-methoxypropyl)pyrazole?
The canonical SMILES for 3-(dimethoxymethyl)-1-(3-methoxypropyl)pyrazole is COCCCn1ccc(C(OC)OC)n1.
What is the InChIKey of 3-(dimethoxymethyl)-1-(3-methoxypropyl)pyrazole?
The InChIKey is LINQFCZPECALHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-13-8-4-6-12-7-5-9(11-12)10(14-2)15-3/h5,7,10H,4,6,8H2,1-3H3.
What are the key properties of 3-(dimethoxymethyl)-1-(3-methoxypropyl)pyrazole?
3-(dimethoxymethyl)-1-(3-methoxypropyl)pyrazole has a molecular weight of 214.26 g/mol, XLogP of 1.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethoxymethyl)-1-(3-methoxypropyl)pyrazole is sourced from PubChem (CID 118157634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).