(4-chloro-1-ethylpyrazol-5-yl)-(3-iodophenyl)methanol

C12H12ClIN2O — CID 115834841

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(3-iodophenyl)methanol
SMILESCCn1ncc(Cl)c1C(O)c1cccc(I)c1
InChIInChI=1S/C12H12ClIN2O/c1-2-16-11(10(13)7-15-16)12(17)8-4-3-5-9(14)6-8/h3-7,12,17H,2H2,1H3
InChIKeyBEARUSCJYCOSLS-UHFFFAOYSA-N
MW362.60 g/mol
LogP3.24
Rot. Bonds3

About (4-chloro-1-ethylpyrazol-5-yl)-(3-iodophenyl)methanol

(4-chloro-1-ethylpyrazol-5-yl)-(3-iodophenyl)methanol (PubChem CID 115834841) has the molecular formula C12H12ClIN2O and a molecular weight of 362.60 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(3-iodophenyl)methanol.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(3-iodophenyl)methanol
PubChem CID115834841
Molecular FormulaC12H12ClIN2O
Molecular Weight362.60 g/mol
Exact Mass361.97
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(3-iodophenyl)methanol
SMILESCCn1ncc(Cl)c1C(O)c1cccc(I)c1
InChIInChI=1S/C12H12ClIN2O/c1-2-16-11(10(13)7-15-16)12(17)8-4-3-5-9(14)6-8/h3-7,12,17H,2H2,1H3
InChIKeyBEARUSCJYCOSLS-UHFFFAOYSA-N
XLogP3.24
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.60
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-iodophenyl)-N-methylmethanamine
CID 105040827
(4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanol
CID 107978678
(4-chloro-1-ethylpyrazol-5-yl)-(2,3-dimethylphenyl)methanol
CID 114635051
(3-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol
CID 114635000
(4-chloro-1-ethylpyrazol-5-yl)-(4-cyclopropylphenyl)methanol
CID 114636929
1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol
CID 114645960
(4-chloro-1-propylpyrazol-5-yl)-(3,4-dimethylphenyl)methanol
CID 114635071
(4-chloro-1-ethylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanol
CID 114638136
(4-chloro-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methanol
CID 114635404
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,4-dichlorophenyl)ethanol
CID 114643302
[(4-chloro-1-ethylpyrazol-5-yl)-phenylmethyl]hydrazine
CID 105199252
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-fluorophenyl)sulfanylethanol
CID 114644222

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(3-iodophenyl)methanol?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(3-iodophenyl)methanol (CID 115834841) is (4-chloro-1-ethylpyrazol-5-yl)-(3-iodophenyl)methanol.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(3-iodophenyl)methanol?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(3-iodophenyl)methanol is CCn1ncc(Cl)c1C(O)c1cccc(I)c1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(3-iodophenyl)methanol?
The InChIKey is BEARUSCJYCOSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClIN2O/c1-2-16-11(10(13)7-15-16)12(17)8-4-3-5-9(14)6-8/h3-7,12,17H,2H2,1H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(3-iodophenyl)methanol?
(4-chloro-1-ethylpyrazol-5-yl)-(3-iodophenyl)methanol has a molecular weight of 362.60 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-(3-iodophenyl)methanol is sourced from PubChem (CID 115834841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).