1-(2-methoxyphenyl)-4-propan-2-yloxypyrazole

C13H16N2O2 — CID 117229659

IUPAC1-(2-methoxyphenyl)-4-propan-2-yloxypyrazole
SMILESCOc1ccccc1-n1cc(OC(C)C)cn1
InChIInChI=1S/C13H16N2O2/c1-10(2)17-11-8-14-15(9-11)12-6-4-5-7-13(12)16-3/h4-10H,1-3H3
InChIKeyCTPRWMZOIUOGRI-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.67
Rot. Bonds4

About 1-(2-methoxyphenyl)-4-propan-2-yloxypyrazole

1-(2-methoxyphenyl)-4-propan-2-yloxypyrazole (PubChem CID 117229659) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-propan-2-yloxypyrazole.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-propan-2-yloxypyrazole
PubChem CID117229659
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-(2-methoxyphenyl)-4-propan-2-yloxypyrazole
SMILESCOc1ccccc1-n1cc(OC(C)C)cn1
InChIInChI=1S/C13H16N2O2/c1-10(2)17-11-8-14-15(9-11)12-6-4-5-7-13(12)16-3/h4-10H,1-3H3
InChIKeyCTPRWMZOIUOGRI-UHFFFAOYSA-N
XLogP2.67
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-methoxyphenyl)pyrazol-4-yl]oxy-N-methylethanamine
CID 117230198
1-[1-(2-methoxyphenyl)pyrazol-4-yl]oxy-N-methylpropan-2-amine
CID 117230222
1-(2-methoxyphenyl)pyrazol-4-ol
CID 117124800
1-[4-bromo-2-(bromomethyl)phenyl]-4-propan-2-yloxypyrazole
CID 114274149
2-(4-methoxypyrazol-1-yl)aniline
CID 130511077
N-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 125165825
methyl N-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methylamino]-1-oxopropan-2-yl]carbamate
CID 90649934
1-(4-fluorophenyl)-4-(2-methoxyphenoxy)pyrazole
CID 117229286
1-cyclobutyl-3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]urea
CID 125443355
1-(2-methoxyphenyl)-N-methyl-N-(1-pyrimidin-4-ylethyl)pyrazole-4-carboxamide
CID 70721608
8-methoxy-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-azabicyclo[3.2.1]octane
CID 156609533
N-[1-(methoxymethyl)cyclopentyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 77086056

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-propan-2-yloxypyrazole?
The IUPAC name of 1-(2-methoxyphenyl)-4-propan-2-yloxypyrazole (CID 117229659) is 1-(2-methoxyphenyl)-4-propan-2-yloxypyrazole.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-propan-2-yloxypyrazole?
The canonical SMILES for 1-(2-methoxyphenyl)-4-propan-2-yloxypyrazole is COc1ccccc1-n1cc(OC(C)C)cn1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-propan-2-yloxypyrazole?
The InChIKey is CTPRWMZOIUOGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10(2)17-11-8-14-15(9-11)12-6-4-5-7-13(12)16-3/h4-10H,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-4-propan-2-yloxypyrazole?
1-(2-methoxyphenyl)-4-propan-2-yloxypyrazole has a molecular weight of 232.28 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-propan-2-yloxypyrazole is sourced from PubChem (CID 117229659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).