(5-amino-1H-pyrazol-4-yl)-(2-fluoro-4-methoxyphenyl)methanol

C11H12FN3O2 — CID 103395395

IUPAC(5-amino-1H-pyrazol-4-yl)-(2-fluoro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cn[nH]c2N)c(F)c1
InChIInChI=1S/C11H12FN3O2/c1-17-6-2-3-7(9(12)4-6)10(16)8-5-14-15-11(8)13/h2-5,10,16H,1H3,(H3,13,14,15)
InChIKeyRBEXZROZSUUFLI-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.22
Rot. Bonds3

About (5-amino-1H-pyrazol-4-yl)-(2-fluoro-4-methoxyphenyl)methanol

(5-amino-1H-pyrazol-4-yl)-(2-fluoro-4-methoxyphenyl)methanol (PubChem CID 103395395) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is (5-amino-1H-pyrazol-4-yl)-(2-fluoro-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(5-amino-1H-pyrazol-4-yl)-(2-fluoro-4-methoxyphenyl)methanol
PubChem CID103395395
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name(5-amino-1H-pyrazol-4-yl)-(2-fluoro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cn[nH]c2N)c(F)c1
InChIInChI=1S/C11H12FN3O2/c1-17-6-2-3-7(9(12)4-6)10(16)8-5-14-15-11(8)13/h2-5,10,16H,1H3,(H3,13,14,15)
InChIKeyRBEXZROZSUUFLI-UHFFFAOYSA-N
XLogP1.22
TPSA84.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

bis(2-fluoro-4-methoxyphenyl)methanol
CID 102884350
(2-fluoro-4-methoxyphenyl)-(3-methyl-4-pyridinyl)methanol
CID 103395465
(2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 61080731
(2-fluoro-4-methoxyphenyl)-pyridazin-4-ylmethanol
CID 103397496
(2-amino-4-methyl-3-pyridinyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 81305114
1-(5-amino-1H-pyrazol-4-yl)-2-(2-bromo-5-methoxyphenyl)ethanol
CID 65361933
(3,5-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 61083265
(5-amino-1H-pyrazol-4-yl)-(2,6-difluorophenyl)methanol
CID 65361938
[2-(difluoromethoxy)phenyl]-(2-fluoro-4-methoxyphenyl)methanol
CID 61081110
(2,5-diethylphenyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 102884367
(2-cyclopropylphenyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 103395056
1-(2-fluoro-4-methoxyphenyl)propane-1,2,3-triol
CID 170817736

Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-pyrazol-4-yl)-(2-fluoro-4-methoxyphenyl)methanol?
The IUPAC name of (5-amino-1H-pyrazol-4-yl)-(2-fluoro-4-methoxyphenyl)methanol (CID 103395395) is (5-amino-1H-pyrazol-4-yl)-(2-fluoro-4-methoxyphenyl)methanol.
What is the SMILES notation for (5-amino-1H-pyrazol-4-yl)-(2-fluoro-4-methoxyphenyl)methanol?
The canonical SMILES for (5-amino-1H-pyrazol-4-yl)-(2-fluoro-4-methoxyphenyl)methanol is COc1ccc(C(O)c2cn[nH]c2N)c(F)c1.
What is the InChIKey of (5-amino-1H-pyrazol-4-yl)-(2-fluoro-4-methoxyphenyl)methanol?
The InChIKey is RBEXZROZSUUFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2/c1-17-6-2-3-7(9(12)4-6)10(16)8-5-14-15-11(8)13/h2-5,10,16H,1H3,(H3,13,14,15).
What are the key properties of (5-amino-1H-pyrazol-4-yl)-(2-fluoro-4-methoxyphenyl)methanol?
(5-amino-1H-pyrazol-4-yl)-(2-fluoro-4-methoxyphenyl)methanol has a molecular weight of 237.23 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-pyrazol-4-yl)-(2-fluoro-4-methoxyphenyl)methanol is sourced from PubChem (CID 103395395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).