(5-methoxy-1-phenyl-3-propan-2-ylpyrazol-4-yl)methanol

C14H18N2O2 — CID 117123429

IUPAC(5-methoxy-1-phenyl-3-propan-2-ylpyrazol-4-yl)methanol
SMILESCOc1c(CO)c(C(C)C)nn1-c1ccccc1
InChIInChI=1S/C14H18N2O2/c1-10(2)13-12(9-17)14(18-3)16(15-13)11-7-5-4-6-8-11/h4-8,10,17H,9H2,1-3H3
InChIKeyZCVXFFRMJGAGCR-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.50
Rot. Bonds4

About (5-methoxy-1-phenyl-3-propan-2-ylpyrazol-4-yl)methanol

(5-methoxy-1-phenyl-3-propan-2-ylpyrazol-4-yl)methanol (PubChem CID 117123429) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (5-methoxy-1-phenyl-3-propan-2-ylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(5-methoxy-1-phenyl-3-propan-2-ylpyrazol-4-yl)methanol
PubChem CID117123429
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(5-methoxy-1-phenyl-3-propan-2-ylpyrazol-4-yl)methanol
SMILESCOc1c(CO)c(C(C)C)nn1-c1ccccc1
InChIInChI=1S/C14H18N2O2/c1-10(2)13-12(9-17)14(18-3)16(15-13)11-7-5-4-6-8-11/h4-8,10,17H,9H2,1-3H3
InChIKeyZCVXFFRMJGAGCR-UHFFFAOYSA-N
XLogP2.50
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-methoxy-1-phenyl-3-propan-2-ylpyrazol-4-yl)propanoic acid
CID 117123727
[5-methoxy-1-(2-methoxyphenyl)-3-propan-2-ylpyrazol-4-yl]methanol
CID 117123466
3-[1-(4-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid
CID 117124339
2-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethanol
CID 117123475
[5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanamine
CID 117123535
2-[1-(3-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]ethanamine
CID 117123906
2-[5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]acetic acid
CID 117123695
3-[1-(2-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid
CID 117123755
1-(4-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazole-4-carboxylic acid
CID 117124282
(2S)-1-[[1-(4-methoxyphenyl)-5-phenoxy-3-propan-2-ylpyrazol-4-yl]methyl-propan-2-ylamino]propan-2-ol
CID 93230831
3-[(5-chloro-1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol
CID 110906395
[5-chloro-1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanol
CID 43333662

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1-phenyl-3-propan-2-ylpyrazol-4-yl)methanol?
The IUPAC name of (5-methoxy-1-phenyl-3-propan-2-ylpyrazol-4-yl)methanol (CID 117123429) is (5-methoxy-1-phenyl-3-propan-2-ylpyrazol-4-yl)methanol.
What is the SMILES notation for (5-methoxy-1-phenyl-3-propan-2-ylpyrazol-4-yl)methanol?
The canonical SMILES for (5-methoxy-1-phenyl-3-propan-2-ylpyrazol-4-yl)methanol is COc1c(CO)c(C(C)C)nn1-c1ccccc1.
What is the InChIKey of (5-methoxy-1-phenyl-3-propan-2-ylpyrazol-4-yl)methanol?
The InChIKey is ZCVXFFRMJGAGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(2)13-12(9-17)14(18-3)16(15-13)11-7-5-4-6-8-11/h4-8,10,17H,9H2,1-3H3.
What are the key properties of (5-methoxy-1-phenyl-3-propan-2-ylpyrazol-4-yl)methanol?
(5-methoxy-1-phenyl-3-propan-2-ylpyrazol-4-yl)methanol has a molecular weight of 246.31 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1-phenyl-3-propan-2-ylpyrazol-4-yl)methanol is sourced from PubChem (CID 117123429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).