(3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methanol

C14H17FN2O2 — CID 65100970

IUPAC(3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H17FN2O2/c1-3-8-17-12(6-7-16-17)14(18)10-4-5-13(19-2)11(15)9-10/h4-7,9,14,18H,3,8H2,1-2H3
InChIKeySIWMFZQRNOHQIL-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.52
Rot. Bonds5

About (3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methanol

(3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methanol (PubChem CID 65100970) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methanol
PubChem CID65100970
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name(3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H17FN2O2/c1-3-8-17-12(6-7-16-17)14(18)10-4-5-13(19-2)11(15)9-10/h4-7,9,14,18H,3,8H2,1-2H3
InChIKeySIWMFZQRNOHQIL-UHFFFAOYSA-N
XLogP2.52
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 115857575
(3-fluoro-4-methoxyphenyl)-(3-propyltriazol-4-yl)methanol
CID 114685101
(3-bromo-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 63974840
(4-ethylphenyl)-(2-propylpyrazol-3-yl)methanol
CID 63976106
(3-methoxythiophen-2-yl)-(2-propylpyrazol-3-yl)methanol
CID 115798642
(5-methoxy-3-pyridinyl)-(2-propylpyrazol-3-yl)methanol
CID 114557064
(4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol
CID 63975266
(2-ethylpyrazol-3-yl)-(3-fluoro-4-methylphenyl)methanol
CID 63974209
(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-4-methoxyphenyl)methanol
CID 114636339
(4-cyclopropylphenyl)-(2-propylpyrazol-3-yl)methanol
CID 79980656
(4-chloro-2-fluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 63975297
(3,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684701

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methanol?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methanol (CID 65100970) is (3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methanol.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methanol?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methanol is CCCn1nccc1C(O)c1ccc(OC)c(F)c1.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methanol?
The InChIKey is SIWMFZQRNOHQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-3-8-17-12(6-7-16-17)14(18)10-4-5-13(19-2)11(15)9-10/h4-7,9,14,18H,3,8H2,1-2H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methanol?
(3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methanol has a molecular weight of 264.30 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methanol is sourced from PubChem (CID 65100970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).