(4-chloro-2,5-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol

C13H13ClF2N2O2 — CID 115837195

IUPAC(4-chloro-2,5-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
SMILESCCn1ncc(OC)c1C(O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C13H13ClF2N2O2/c1-3-18-12(11(20-2)6-17-18)13(19)7-4-10(16)8(14)5-9(7)15/h4-6,13,19H,3H2,1-2H3
InChIKeyMFEZRLJQQAYGEF-UHFFFAOYSA-N
MW302.71 g/mol
LogP2.92
Rot. Bonds4

About (4-chloro-2,5-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol

(4-chloro-2,5-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol (PubChem CID 115837195) has the molecular formula C13H13ClF2N2O2 and a molecular weight of 302.71 g/mol. Its IUPAC name is (4-chloro-2,5-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol.

Molecular Properties

Compound Name(4-chloro-2,5-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
PubChem CID115837195
Molecular FormulaC13H13ClF2N2O2
Molecular Weight302.71 g/mol
Exact Mass302.06
IUPAC Name(4-chloro-2,5-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
SMILESCCn1ncc(OC)c1C(O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C13H13ClF2N2O2/c1-3-18-12(11(20-2)6-17-18)13(19)7-4-10(16)8(14)5-9(7)15/h4-6,13,19H,3H2,1-2H3
InChIKeyMFEZRLJQQAYGEF-UHFFFAOYSA-N
XLogP2.92
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.71
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(5-bromo-2-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114634963
(3,5-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114635408
(2-chloro-6-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114634594
(2-chloro-4-methylphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 106859558
(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-4-methoxyphenyl)methanol
CID 114636339
(2,4-dimethoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114634383
(5-chloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114644895
(3-bromo-4-chlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114638058
(2-fluoro-4-methoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114645087
(1-ethyl-4-methoxypyrazol-5-yl)-(2-ethylpyrazol-3-yl)methanol
CID 114638723
(5-bromo-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114634965
(3,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 107978711

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,5-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
The IUPAC name of (4-chloro-2,5-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol (CID 115837195) is (4-chloro-2,5-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol.
What is the SMILES notation for (4-chloro-2,5-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
The canonical SMILES for (4-chloro-2,5-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol is CCn1ncc(OC)c1C(O)c1cc(F)c(Cl)cc1F.
What is the InChIKey of (4-chloro-2,5-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
The InChIKey is MFEZRLJQQAYGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF2N2O2/c1-3-18-12(11(20-2)6-17-18)13(19)7-4-10(16)8(14)5-9(7)15/h4-6,13,19H,3H2,1-2H3.
What are the key properties of (4-chloro-2,5-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
(4-chloro-2,5-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol has a molecular weight of 302.71 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,5-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol is sourced from PubChem (CID 115837195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).