4-[3-(2-methoxyethoxy)propoxy]-1-propan-2-ylpyrazole

C12H22N2O3 — CID 103414014

IUPAC4-[3-(2-methoxyethoxy)propoxy]-1-propan-2-ylpyrazole
SMILESCOCCOCCCOc1cnn(C(C)C)c1
InChIInChI=1S/C12H22N2O3/c1-11(2)14-10-12(9-13-14)17-6-4-5-16-8-7-15-3/h9-11H,4-8H2,1-3H3
InChIKeyCTLZJKYPZDADNJ-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.90
Rot. Bonds9

About 4-[3-(2-methoxyethoxy)propoxy]-1-propan-2-ylpyrazole

4-[3-(2-methoxyethoxy)propoxy]-1-propan-2-ylpyrazole (PubChem CID 103414014) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-[3-(2-methoxyethoxy)propoxy]-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name4-[3-(2-methoxyethoxy)propoxy]-1-propan-2-ylpyrazole
PubChem CID103414014
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name4-[3-(2-methoxyethoxy)propoxy]-1-propan-2-ylpyrazole
SMILESCOCCOCCCOc1cnn(C(C)C)c1
InChIInChI=1S/C12H22N2O3/c1-11(2)14-10-12(9-13-14)17-6-4-5-16-8-7-15-3/h9-11H,4-8H2,1-3H3
InChIKeyCTLZJKYPZDADNJ-UHFFFAOYSA-N
XLogP1.90
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-chloroethoxy)ethoxy]-1-propan-2-ylpyrazole
CID 116800947
4-(3-phenoxypropoxy)-1-propan-2-ylpyrazole
CID 116805200
3-(1-propan-2-ylpyrazol-4-yl)oxypropan-1-amine
CID 116800727
1-ethyl-4-[2-(3-methoxypropoxy)ethoxy]pyrazole
CID 103184424
4-methyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pentan-1-amine
CID 116803962
N',N'-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine
CID 116803927
4-phenylmethoxy-1-propan-2-ylpyrazole
CID 91900757
N-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)oxyacetamide
CID 116805305
2-chloro-3-(1-propan-2-ylpyrazol-4-yl)oxypropanoic acid
CID 116804052
1-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pyridin-2-one
CID 116805480
2-[2-[1-(difluoromethyl)pyrazol-4-yl]oxyethoxy]ethanamine
CID 167713446
(E)-3-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxybut-2-enoic acid
CID 116799911

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxyethoxy)propoxy]-1-propan-2-ylpyrazole?
The IUPAC name of 4-[3-(2-methoxyethoxy)propoxy]-1-propan-2-ylpyrazole (CID 103414014) is 4-[3-(2-methoxyethoxy)propoxy]-1-propan-2-ylpyrazole.
What is the SMILES notation for 4-[3-(2-methoxyethoxy)propoxy]-1-propan-2-ylpyrazole?
The canonical SMILES for 4-[3-(2-methoxyethoxy)propoxy]-1-propan-2-ylpyrazole is COCCOCCCOc1cnn(C(C)C)c1.
What is the InChIKey of 4-[3-(2-methoxyethoxy)propoxy]-1-propan-2-ylpyrazole?
The InChIKey is CTLZJKYPZDADNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-11(2)14-10-12(9-13-14)17-6-4-5-16-8-7-15-3/h9-11H,4-8H2,1-3H3.
What are the key properties of 4-[3-(2-methoxyethoxy)propoxy]-1-propan-2-ylpyrazole?
4-[3-(2-methoxyethoxy)propoxy]-1-propan-2-ylpyrazole has a molecular weight of 242.32 g/mol, XLogP of 1.90, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxyethoxy)propoxy]-1-propan-2-ylpyrazole is sourced from PubChem (CID 103414014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).