(4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanol

C13H16ClN3O — CID 105127775

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanol
SMILESCCn1ncc(Cl)c1C(O)c1ccc(C)nc1C
InChIInChI=1S/C13H16ClN3O/c1-4-17-12(11(14)7-15-17)13(18)10-6-5-8(2)16-9(10)3/h5-7,13,18H,4H2,1-3H3
InChIKeyPFCFXQDRNWBWNF-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.65
Rot. Bonds3

About (4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanol

(4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanol (PubChem CID 105127775) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanol
PubChem CID105127775
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanol
SMILESCCn1ncc(Cl)c1C(O)c1ccc(C)nc1C
InChIInChI=1S/C13H16ClN3O/c1-4-17-12(11(14)7-15-17)13(18)10-6-5-8(2)16-9(10)3/h5-7,13,18H,4H2,1-3H3
InChIKeyPFCFXQDRNWBWNF-UHFFFAOYSA-N
XLogP2.65
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanamine
CID 105183156
(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 105127736
(4-chloro-1-ethylpyrazol-5-yl)-(2,3-dimethylphenyl)methanol
CID 114635051
(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanol
CID 114638084
(4-chloro-1-ethylpyrazol-5-yl)-(4-methylthiadiazol-5-yl)methanol
CID 105127701
(4-chloro-1-ethylpyrazol-5-yl)-(5-chloroquinolin-8-yl)methanol
CID 114638079
(4-bromo-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanamine
CID 105182910
(4-chloro-1-ethylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methanamine
CID 114651502
(2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 106859533
(4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanol
CID 107978678
(4-chloro-1-ethylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanol
CID 114638136
(4-chloro-1-ethylpyrazol-5-yl)-(3-iodophenyl)methanol
CID 115834841

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanol?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanol (CID 105127775) is (4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanol.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanol?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanol is CCn1ncc(Cl)c1C(O)c1ccc(C)nc1C.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanol?
The InChIKey is PFCFXQDRNWBWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-4-17-12(11(14)7-15-17)13(18)10-6-5-8(2)16-9(10)3/h5-7,13,18H,4H2,1-3H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanol?
(4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanol has a molecular weight of 265.74 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanol is sourced from PubChem (CID 105127775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).