(2,6-dimethyl-3-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol

C15H21N3O2 — CID 105130353

IUPAC(2,6-dimethyl-3-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
SMILESCOc1cnn(C(C)C)c1C(O)c1ccc(C)nc1C
InChIInChI=1S/C15H21N3O2/c1-9(2)18-14(13(20-5)8-16-18)15(19)12-7-6-10(3)17-11(12)4/h6-9,15,19H,1-5H3
InChIKeyUJGPFHNSTUYLRD-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.57
Rot. Bonds4

About (2,6-dimethyl-3-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol

(2,6-dimethyl-3-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol (PubChem CID 105130353) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2,6-dimethyl-3-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(2,6-dimethyl-3-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
PubChem CID105130353
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(2,6-dimethyl-3-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
SMILESCOc1cnn(C(C)C)c1C(O)c1ccc(C)nc1C
InChIInChI=1S/C15H21N3O2/c1-9(2)18-14(13(20-5)8-16-18)15(19)12-7-6-10(3)17-11(12)4/h6-9,15,19H,1-5H3
InChIKeyUJGPFHNSTUYLRD-UHFFFAOYSA-N
XLogP2.57
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114634045
(4-chloro-2-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114643601
(2-bromo-3,4-difluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 107538311
(2,6-dichlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114634463
(3,5-dibromophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 107978713
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methyl]ethanamine
CID 114651554
[(2,6-dimethyl-3-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105339360
(4-chloro-3-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114635288
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2-methoxyphenyl)methanol
CID 115835375
(2,6-dimethyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanol
CID 115604819
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-1-ol
CID 114635721
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol
CID 105066445

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-3-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol?
The IUPAC name of (2,6-dimethyl-3-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol (CID 105130353) is (2,6-dimethyl-3-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol.
What is the SMILES notation for (2,6-dimethyl-3-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol?
The canonical SMILES for (2,6-dimethyl-3-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol is COc1cnn(C(C)C)c1C(O)c1ccc(C)nc1C.
What is the InChIKey of (2,6-dimethyl-3-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol?
The InChIKey is UJGPFHNSTUYLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-9(2)18-14(13(20-5)8-16-18)15(19)12-7-6-10(3)17-11(12)4/h6-9,15,19H,1-5H3.
What are the key properties of (2,6-dimethyl-3-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol?
(2,6-dimethyl-3-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol has a molecular weight of 275.35 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-3-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol is sourced from PubChem (CID 105130353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).