(3-methoxy-4-pyridinyl)-(2-propylpyrazol-3-yl)methanol

C13H17N3O2 — CID 105066291

IUPAC(3-methoxy-4-pyridinyl)-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1ccncc1OC
InChIInChI=1S/C13H17N3O2/c1-3-8-16-11(5-7-15-16)13(17)10-4-6-14-9-12(10)18-2/h4-7,9,13,17H,3,8H2,1-2H3
InChIKeyWEFMEIYNEKVMQC-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.78
Rot. Bonds5

About (3-methoxy-4-pyridinyl)-(2-propylpyrazol-3-yl)methanol

(3-methoxy-4-pyridinyl)-(2-propylpyrazol-3-yl)methanol (PubChem CID 105066291) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is (3-methoxy-4-pyridinyl)-(2-propylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(3-methoxy-4-pyridinyl)-(2-propylpyrazol-3-yl)methanol
PubChem CID105066291
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name(3-methoxy-4-pyridinyl)-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1ccncc1OC
InChIInChI=1S/C13H17N3O2/c1-3-8-16-11(5-7-15-16)13(17)10-4-6-14-9-12(10)18-2/h4-7,9,13,17H,3,8H2,1-2H3
InChIKeyWEFMEIYNEKVMQC-UHFFFAOYSA-N
XLogP1.78
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxythiophen-2-yl)-(2-propylpyrazol-3-yl)methanol
CID 115798642
(2-propoxyphenyl)-(2-propylpyrazol-3-yl)methanol
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(2-propylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanol
CID 63975892
(5-methoxy-3-pyridinyl)-(2-propylpyrazol-3-yl)methanol
CID 114557064
(2-propylpyrazol-3-yl)-pyrimidin-5-ylmethanol
CID 114556923
(3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methanol
CID 65100970
(4-chloro-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol
CID 105066457
isoquinolin-4-yl-(2-propylpyrazol-3-yl)methanol
CID 104504645
(2-aminophenyl)-(2-propylpyrazol-3-yl)methanol
CID 64831998
(4-ethylphenyl)-(2-propylpyrazol-3-yl)methanol
CID 63976106
(2,5-dimethylphenyl)-(2-propylpyrazol-3-yl)methanol
CID 63977386
(2-bromofuran-3-yl)-(2-propylpyrazol-3-yl)methanol
CID 106859237

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-pyridinyl)-(2-propylpyrazol-3-yl)methanol?
The IUPAC name of (3-methoxy-4-pyridinyl)-(2-propylpyrazol-3-yl)methanol (CID 105066291) is (3-methoxy-4-pyridinyl)-(2-propylpyrazol-3-yl)methanol.
What is the SMILES notation for (3-methoxy-4-pyridinyl)-(2-propylpyrazol-3-yl)methanol?
The canonical SMILES for (3-methoxy-4-pyridinyl)-(2-propylpyrazol-3-yl)methanol is CCCn1nccc1C(O)c1ccncc1OC.
What is the InChIKey of (3-methoxy-4-pyridinyl)-(2-propylpyrazol-3-yl)methanol?
The InChIKey is WEFMEIYNEKVMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-8-16-11(5-7-15-16)13(17)10-4-6-14-9-12(10)18-2/h4-7,9,13,17H,3,8H2,1-2H3.
What are the key properties of (3-methoxy-4-pyridinyl)-(2-propylpyrazol-3-yl)methanol?
(3-methoxy-4-pyridinyl)-(2-propylpyrazol-3-yl)methanol has a molecular weight of 247.30 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-pyridinyl)-(2-propylpyrazol-3-yl)methanol is sourced from PubChem (CID 105066291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).