[3-(methoxymethyl)phenyl]-(4-methoxy-1-propylpyrazol-5-yl)methanol

C16H22N2O3 — CID 114636366

IUPAC[3-(methoxymethyl)phenyl]-(4-methoxy-1-propylpyrazol-5-yl)methanol
SMILESCCCn1ncc(OC)c1C(O)c1cccc(COC)c1
InChIInChI=1S/C16H22N2O3/c1-4-8-18-15(14(21-3)10-17-18)16(19)13-7-5-6-12(9-13)11-20-2/h5-7,9-10,16,19H,4,8,11H2,1-3H3
InChIKeyXAUFWOURAABRFV-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.53
Rot. Bonds7

About [3-(methoxymethyl)phenyl]-(4-methoxy-1-propylpyrazol-5-yl)methanol

[3-(methoxymethyl)phenyl]-(4-methoxy-1-propylpyrazol-5-yl)methanol (PubChem CID 114636366) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is [3-(methoxymethyl)phenyl]-(4-methoxy-1-propylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name[3-(methoxymethyl)phenyl]-(4-methoxy-1-propylpyrazol-5-yl)methanol
PubChem CID114636366
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name[3-(methoxymethyl)phenyl]-(4-methoxy-1-propylpyrazol-5-yl)methanol
SMILESCCCn1ncc(OC)c1C(O)c1cccc(COC)c1
InChIInChI=1S/C16H22N2O3/c1-4-8-18-15(14(21-3)10-17-18)16(19)13-7-5-6-12(9-13)11-20-2/h5-7,9-10,16,19H,4,8,11H2,1-3H3
InChIKeyXAUFWOURAABRFV-UHFFFAOYSA-N
XLogP2.53
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114634160
furan-3-yl-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114635264
4-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]benzonitrile
CID 114637571
(4-bromo-3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114645987
3-[(1-ethyl-4-methoxypyrazol-5-yl)-hydroxymethyl]benzonitrile
CID 114637583
(2-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114634116
(4-methoxy-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol
CID 115837711
(2-fluoro-4-methoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114645087
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 114647720
4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-3-methylbutan-1-ol
CID 105130553
(4-methoxy-1-propylpyrazol-5-yl)-(3-propylimidazol-4-yl)methanol
CID 114636682
(1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114636784

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)phenyl]-(4-methoxy-1-propylpyrazol-5-yl)methanol?
The IUPAC name of [3-(methoxymethyl)phenyl]-(4-methoxy-1-propylpyrazol-5-yl)methanol (CID 114636366) is [3-(methoxymethyl)phenyl]-(4-methoxy-1-propylpyrazol-5-yl)methanol.
What is the SMILES notation for [3-(methoxymethyl)phenyl]-(4-methoxy-1-propylpyrazol-5-yl)methanol?
The canonical SMILES for [3-(methoxymethyl)phenyl]-(4-methoxy-1-propylpyrazol-5-yl)methanol is CCCn1ncc(OC)c1C(O)c1cccc(COC)c1.
What is the InChIKey of [3-(methoxymethyl)phenyl]-(4-methoxy-1-propylpyrazol-5-yl)methanol?
The InChIKey is XAUFWOURAABRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-8-18-15(14(21-3)10-17-18)16(19)13-7-5-6-12(9-13)11-20-2/h5-7,9-10,16,19H,4,8,11H2,1-3H3.
What are the key properties of [3-(methoxymethyl)phenyl]-(4-methoxy-1-propylpyrazol-5-yl)methanol?
[3-(methoxymethyl)phenyl]-(4-methoxy-1-propylpyrazol-5-yl)methanol has a molecular weight of 290.36 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)phenyl]-(4-methoxy-1-propylpyrazol-5-yl)methanol is sourced from PubChem (CID 114636366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).