1-(5-amino-1-methylpyrazol-4-yl)-2-(5-chloro-2-fluorophenyl)ethanol

C12H13ClFN3O — CID 103048242

IUPAC1-(5-amino-1-methylpyrazol-4-yl)-2-(5-chloro-2-fluorophenyl)ethanol
SMILESCn1ncc(C(O)Cc2cc(Cl)ccc2F)c1N
InChIInChI=1S/C12H13ClFN3O/c1-17-12(15)9(6-16-17)11(18)5-7-4-8(13)2-3-10(7)14/h2-4,6,11,18H,5,15H2,1H3
InChIKeyUAYVCIRRBBWJFL-UHFFFAOYSA-N
MW269.71 g/mol
LogP2.07
Rot. Bonds3

About 1-(5-amino-1-methylpyrazol-4-yl)-2-(5-chloro-2-fluorophenyl)ethanol

1-(5-amino-1-methylpyrazol-4-yl)-2-(5-chloro-2-fluorophenyl)ethanol (PubChem CID 103048242) has the molecular formula C12H13ClFN3O and a molecular weight of 269.71 g/mol. Its IUPAC name is 1-(5-amino-1-methylpyrazol-4-yl)-2-(5-chloro-2-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(5-amino-1-methylpyrazol-4-yl)-2-(5-chloro-2-fluorophenyl)ethanol
PubChem CID103048242
Molecular FormulaC12H13ClFN3O
Molecular Weight269.71 g/mol
Exact Mass269.07
IUPAC Name1-(5-amino-1-methylpyrazol-4-yl)-2-(5-chloro-2-fluorophenyl)ethanol
SMILESCn1ncc(C(O)Cc2cc(Cl)ccc2F)c1N
InChIInChI=1S/C12H13ClFN3O/c1-17-12(15)9(6-16-17)11(18)5-7-4-8(13)2-3-10(7)14/h2-4,6,11,18H,5,15H2,1H3
InChIKeyUAYVCIRRBBWJFL-UHFFFAOYSA-N
XLogP2.07
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-Amino-4-(1-methylperoxyethyl)pyrazol-1-yl]-1-(4-fluorophenyl)ethanol
CID 89026774
2-(2-Chloro-4-fluorophenyl)-1-(1-ethylpyrazol-4-yl)ethanol
CID 55143217
2-(2-Chloro-6-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 55144646
(4-Chloro-2-fluorophenyl)-(1-ethylpyrazol-4-yl)methanol
CID 55179821
1-(4-Chloro-2-fluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 55180012
(2-Chloro-4-fluorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 61088215
(2-Chloro-6-fluorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 61088399
2-(2-Chloro-6-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol
CID 61088411
(4-Chloro-2-fluorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 61088565
(2-Chloro-4-fluorophenyl)-(1-propylpyrazol-4-yl)methanol
CID 62944177
1-(2-Chloro-4-fluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 62944179
(2-Chloro-4-fluorophenyl)-(1-ethylpyrazol-4-yl)methanol
CID 62944682

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1-methylpyrazol-4-yl)-2-(5-chloro-2-fluorophenyl)ethanol?
The IUPAC name of 1-(5-amino-1-methylpyrazol-4-yl)-2-(5-chloro-2-fluorophenyl)ethanol (CID 103048242) is 1-(5-amino-1-methylpyrazol-4-yl)-2-(5-chloro-2-fluorophenyl)ethanol.
What is the SMILES notation for 1-(5-amino-1-methylpyrazol-4-yl)-2-(5-chloro-2-fluorophenyl)ethanol?
The canonical SMILES for 1-(5-amino-1-methylpyrazol-4-yl)-2-(5-chloro-2-fluorophenyl)ethanol is Cn1ncc(C(O)Cc2cc(Cl)ccc2F)c1N.
What is the InChIKey of 1-(5-amino-1-methylpyrazol-4-yl)-2-(5-chloro-2-fluorophenyl)ethanol?
The InChIKey is UAYVCIRRBBWJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3O/c1-17-12(15)9(6-16-17)11(18)5-7-4-8(13)2-3-10(7)14/h2-4,6,11,18H,5,15H2,1H3.
What are the key properties of 1-(5-amino-1-methylpyrazol-4-yl)-2-(5-chloro-2-fluorophenyl)ethanol?
1-(5-amino-1-methylpyrazol-4-yl)-2-(5-chloro-2-fluorophenyl)ethanol has a molecular weight of 269.71 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1-methylpyrazol-4-yl)-2-(5-chloro-2-fluorophenyl)ethanol is sourced from PubChem (CID 103048242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).