4-(3-phenoxypropoxy)-1-propan-2-ylpyrazole

C15H20N2O2 — CID 116805200

IUPAC4-(3-phenoxypropoxy)-1-propan-2-ylpyrazole
SMILESCC(C)n1cc(OCCCOc2ccccc2)cn1
InChIInChI=1S/C15H20N2O2/c1-13(2)17-12-15(11-16-17)19-10-6-9-18-14-7-4-3-5-8-14/h3-5,7-8,11-13H,6,9-10H2,1-2H3
InChIKeyOAJMNDSEQOHBGZ-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.31
Rot. Bonds7

About 4-(3-phenoxypropoxy)-1-propan-2-ylpyrazole

4-(3-phenoxypropoxy)-1-propan-2-ylpyrazole (PubChem CID 116805200) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-(3-phenoxypropoxy)-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name4-(3-phenoxypropoxy)-1-propan-2-ylpyrazole
PubChem CID116805200
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-(3-phenoxypropoxy)-1-propan-2-ylpyrazole
SMILESCC(C)n1cc(OCCCOc2ccccc2)cn1
InChIInChI=1S/C15H20N2O2/c1-13(2)17-12-15(11-16-17)19-10-6-9-18-14-7-4-3-5-8-14/h3-5,7-8,11-13H,6,9-10H2,1-2H3
InChIKeyOAJMNDSEQOHBGZ-UHFFFAOYSA-N
XLogP3.31
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.31
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

4-phenylmethoxy-1-propan-2-ylpyrazole
CID 91900757
3-(1-propan-2-ylpyrazol-4-yl)oxypropan-1-amine
CID 116800727
4-[3-(2-methoxyethoxy)propoxy]-1-propan-2-ylpyrazole
CID 103414014
N,N-dimethyl-2-(1-propan-2-ylpyrazol-4-yl)oxyethanamine
CID 116805301
1-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pyridin-2-one
CID 116805480
N-methyl-2-phenyl-2-(1-propan-2-ylpyrazol-4-yl)oxyethanamine
CID 116803622
2-bromo-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]aniline
CID 116803954
4-[2-(2-chloroethoxy)ethoxy]-1-propan-2-ylpyrazole
CID 116800947
1-methyl-4-(2-phenoxyethoxy)pyrazole
CID 115753034
4-methyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pentan-1-amine
CID 116803962
1-(furan-2-yl)-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]ethanamine
CID 116803887
4-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]morpholine
CID 116805370

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenoxypropoxy)-1-propan-2-ylpyrazole?
The IUPAC name of 4-(3-phenoxypropoxy)-1-propan-2-ylpyrazole (CID 116805200) is 4-(3-phenoxypropoxy)-1-propan-2-ylpyrazole.
What is the SMILES notation for 4-(3-phenoxypropoxy)-1-propan-2-ylpyrazole?
The canonical SMILES for 4-(3-phenoxypropoxy)-1-propan-2-ylpyrazole is CC(C)n1cc(OCCCOc2ccccc2)cn1.
What is the InChIKey of 4-(3-phenoxypropoxy)-1-propan-2-ylpyrazole?
The InChIKey is OAJMNDSEQOHBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-13(2)17-12-15(11-16-17)19-10-6-9-18-14-7-4-3-5-8-14/h3-5,7-8,11-13H,6,9-10H2,1-2H3.
What are the key properties of 4-(3-phenoxypropoxy)-1-propan-2-ylpyrazole?
4-(3-phenoxypropoxy)-1-propan-2-ylpyrazole has a molecular weight of 260.34 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenoxypropoxy)-1-propan-2-ylpyrazole is sourced from PubChem (CID 116805200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).