4-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]benzonitrile

C15H17N3O2 — CID 114637571

IUPAC4-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]benzonitrile
SMILESCCCn1ncc(OC)c1C(O)c1ccc(C#N)cc1
InChIInChI=1S/C15H17N3O2/c1-3-8-18-14(13(20-2)10-17-18)15(19)12-6-4-11(9-16)5-7-12/h4-7,10,15,19H,3,8H2,1-2H3
InChIKeyNSXMZEVAYRICPR-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.26
Rot. Bonds5

About 4-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]benzonitrile

4-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]benzonitrile (PubChem CID 114637571) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]benzonitrile.

Molecular Properties

Compound Name4-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]benzonitrile
PubChem CID114637571
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]benzonitrile
SMILESCCCn1ncc(OC)c1C(O)c1ccc(C#N)cc1
InChIInChI=1S/C15H17N3O2/c1-3-8-18-14(13(20-2)10-17-18)15(19)12-6-4-11(9-16)5-7-12/h4-7,10,15,19H,3,8H2,1-2H3
InChIKeyNSXMZEVAYRICPR-UHFFFAOYSA-N
XLogP2.26
TPSA71.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-ethyl-4-methoxypyrazol-5-yl)-hydroxymethyl]benzonitrile
CID 114637583
furan-3-yl-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114635264
(1-ethyl-4-methoxypyrazol-5-yl)-(1-propylpyrazol-4-yl)methanol
CID 103572559
(1-ethyl-4-methoxypyrazol-5-yl)-pyridin-4-ylmethanol
CID 114634373
(4-bromo-3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114645987
(3-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114634160
[3-(methoxymethyl)phenyl]-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114636366
(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-4-methoxyphenyl)methanol
CID 114636339
(4-methoxy-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol
CID 115837711
(2-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114634116
(1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114636784
(4-methoxy-1-propylpyrazol-5-yl)-(3-propylimidazol-4-yl)methanol
CID 114636682

Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]benzonitrile?
The IUPAC name of 4-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]benzonitrile (CID 114637571) is 4-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]benzonitrile.
What is the SMILES notation for 4-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]benzonitrile?
The canonical SMILES for 4-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]benzonitrile is CCCn1ncc(OC)c1C(O)c1ccc(C#N)cc1.
What is the InChIKey of 4-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]benzonitrile?
The InChIKey is NSXMZEVAYRICPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-8-18-14(13(20-2)10-17-18)15(19)12-6-4-11(9-16)5-7-12/h4-7,10,15,19H,3,8H2,1-2H3.
What are the key properties of 4-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]benzonitrile?
4-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]benzonitrile has a molecular weight of 271.32 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]benzonitrile is sourced from PubChem (CID 114637571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).