(3-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol

C16H22N2O3 — CID 114634160

IUPAC(3-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
SMILESCCCn1ncc(OC)c1C(O)c1cccc(OCC)c1
InChIInChI=1S/C16H22N2O3/c1-4-9-18-15(14(20-3)11-17-18)16(19)12-7-6-8-13(10-12)21-5-2/h6-8,10-11,16,19H,4-5,9H2,1-3H3
InChIKeyYIWZGMNYYPQHKT-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.78
Rot. Bonds7

About (3-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol

(3-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol (PubChem CID 114634160) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (3-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(3-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
PubChem CID114634160
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(3-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
SMILESCCCn1ncc(OC)c1C(O)c1cccc(OCC)c1
InChIInChI=1S/C16H22N2O3/c1-4-9-18-15(14(20-3)11-17-18)16(19)12-7-6-8-13(10-12)21-5-2/h6-8,10-11,16,19H,4-5,9H2,1-3H3
InChIKeyYIWZGMNYYPQHKT-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(methoxymethyl)phenyl]-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114636366
(2-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114634116
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
(2-fluoro-4-methoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114645087
[(3-ethoxyphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105192015
(4-chloro-1-propylpyrazol-5-yl)-(4-ethoxyphenyl)methanol
CID 114634063
(3,5-dichloro-2-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114644779
3-[(1-ethyl-4-methoxypyrazol-5-yl)-hydroxymethyl]benzonitrile
CID 114637583
(3-ethoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
CID 114646162
(1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114636784

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol?
The IUPAC name of (3-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol (CID 114634160) is (3-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol.
What is the SMILES notation for (3-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol?
The canonical SMILES for (3-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol is CCCn1ncc(OC)c1C(O)c1cccc(OCC)c1.
What is the InChIKey of (3-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol?
The InChIKey is YIWZGMNYYPQHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-9-18-15(14(20-3)11-17-18)16(19)12-7-6-8-13(10-12)21-5-2/h6-8,10-11,16,19H,4-5,9H2,1-3H3.
What are the key properties of (3-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol?
(3-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol has a molecular weight of 290.36 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol is sourced from PubChem (CID 114634160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).