(4-chloro-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol

C11H12ClN3O2 — CID 105066457

IUPAC(4-chloro-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol
SMILESCOc1cnccc1C(O)c1c(Cl)cnn1C
InChIInChI=1S/C11H12ClN3O2/c1-15-10(8(12)5-14-15)11(16)7-3-4-13-6-9(7)17-2/h3-6,11,16H,1-2H3
InChIKeyQMVTWTLMZMYEFV-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.56
Rot. Bonds3

About (4-chloro-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol

(4-chloro-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol (PubChem CID 105066457) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol
PubChem CID105066457
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol
SMILESCOc1cnccc1C(O)c1c(Cl)cnn1C
InChIInChI=1S/C11H12ClN3O2/c1-15-10(8(12)5-14-15)11(16)7-3-4-13-6-9(7)17-2/h3-6,11,16H,1-2H3
InChIKeyQMVTWTLMZMYEFV-UHFFFAOYSA-N
XLogP1.56
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-1-methylpyrazol-5-yl)-(3,4,5-trimethoxyphenyl)methanol
CID 114634559
(2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114634561
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol
CID 105066445
(3-methoxy-4-pyridinyl)-(2-propylpyrazol-3-yl)methanol
CID 105066291
[(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105339114
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanamine
CID 105066069
(4-bromo-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanamine
CID 105066155
(2-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
CID 106859553
(4-tert-butylphenyl)-(3-methoxy-4-pyridinyl)methanol
CID 105066253
(3,5-dimethoxyphenyl)-(3-methoxy-4-pyridinyl)methanol
CID 105066374
N-[(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 105186345
(4-chloro-1-methylpyrazol-5-yl)-(6-methoxynaphthalen-2-yl)methanol
CID 114634999

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol (CID 105066457) is (4-chloro-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol is COc1cnccc1C(O)c1c(Cl)cnn1C.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol?
The InChIKey is QMVTWTLMZMYEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-15-10(8(12)5-14-15)11(16)7-3-4-13-6-9(7)17-2/h3-6,11,16H,1-2H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol?
(4-chloro-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol has a molecular weight of 253.69 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol is sourced from PubChem (CID 105066457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).