(1,5-dimethylpyrazol-4-yl)-(3-fluoro-2-methoxy-4-pyridinyl)methanol

C12H14FN3O2 — CID 114270280

IUPAC(1,5-dimethylpyrazol-4-yl)-(3-fluoro-2-methoxy-4-pyridinyl)methanol
SMILESCOc1nccc(C(O)c2cnn(C)c2C)c1F
InChIInChI=1S/C12H14FN3O2/c1-7-9(6-15-16(7)2)11(17)8-4-5-14-12(18-3)10(8)13/h4-6,11,17H,1-3H3
InChIKeyDOBHUXRTGCBUCI-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.35
Rot. Bonds3

About (1,5-dimethylpyrazol-4-yl)-(3-fluoro-2-methoxy-4-pyridinyl)methanol

(1,5-dimethylpyrazol-4-yl)-(3-fluoro-2-methoxy-4-pyridinyl)methanol (PubChem CID 114270280) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)-(3-fluoro-2-methoxy-4-pyridinyl)methanol.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)-(3-fluoro-2-methoxy-4-pyridinyl)methanol
PubChem CID114270280
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC Name(1,5-dimethylpyrazol-4-yl)-(3-fluoro-2-methoxy-4-pyridinyl)methanol
SMILESCOc1nccc(C(O)c2cnn(C)c2C)c1F
InChIInChI=1S/C12H14FN3O2/c1-7-9(6-15-16(7)2)11(17)8-4-5-14-12(18-3)10(8)13/h4-6,11,17H,1-3H3
InChIKeyDOBHUXRTGCBUCI-UHFFFAOYSA-N
XLogP1.35
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1,5-dimethylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methanol
CID 113421458
1-(3-fluoro-2-methoxy-4-pyridinyl)propan-1-ol
CID 130506809
(3,5-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanol
CID 79584482
(1,5-dimethylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol
CID 79584669
(1,5-dimethylpyrazol-4-yl)-(3-fluoro-5-methylphenyl)methanol
CID 79705223
(2,3-dichlorophenyl)-(1,5-dimethylpyrazol-4-yl)methanol
CID 79584760
4-(1,5-dimethylpyrazol-4-yl)-2-methoxypyridin-3-amine
CID 90003532
(1,5-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol
CID 79584102
methyl 3-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroxypropanoate
CID 171865435
N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105178595
(4-bromo-1-methylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanol
CID 105132487
(1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114636784

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-4-yl)-(3-fluoro-2-methoxy-4-pyridinyl)methanol?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)-(3-fluoro-2-methoxy-4-pyridinyl)methanol (CID 114270280) is (1,5-dimethylpyrazol-4-yl)-(3-fluoro-2-methoxy-4-pyridinyl)methanol.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)-(3-fluoro-2-methoxy-4-pyridinyl)methanol?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)-(3-fluoro-2-methoxy-4-pyridinyl)methanol is COc1nccc(C(O)c2cnn(C)c2C)c1F.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)-(3-fluoro-2-methoxy-4-pyridinyl)methanol?
The InChIKey is DOBHUXRTGCBUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c1-7-9(6-15-16(7)2)11(17)8-4-5-14-12(18-3)10(8)13/h4-6,11,17H,1-3H3.
What are the key properties of (1,5-dimethylpyrazol-4-yl)-(3-fluoro-2-methoxy-4-pyridinyl)methanol?
(1,5-dimethylpyrazol-4-yl)-(3-fluoro-2-methoxy-4-pyridinyl)methanol has a molecular weight of 251.26 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-4-yl)-(3-fluoro-2-methoxy-4-pyridinyl)methanol is sourced from PubChem (CID 114270280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).