(5-chloro-1,3-dimethylpyrazol-4-yl)-(3,4-dihydro-2H-pyran-6-yl)methanol

C11H15ClN2O2 — CID 102646636

IUPAC(5-chloro-1,3-dimethylpyrazol-4-yl)-(3,4-dihydro-2H-pyran-6-yl)methanol
SMILESCc1nn(C)c(Cl)c1C(O)C1=CCCCO1
InChIInChI=1S/C11H15ClN2O2/c1-7-9(11(12)14(2)13-7)10(15)8-5-3-4-6-16-8/h5,10,15H,3-4,6H2,1-2H3
InChIKeyKWFQITALJJQINN-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.11
Rot. Bonds2

About (5-chloro-1,3-dimethylpyrazol-4-yl)-(3,4-dihydro-2H-pyran-6-yl)methanol

(5-chloro-1,3-dimethylpyrazol-4-yl)-(3,4-dihydro-2H-pyran-6-yl)methanol (PubChem CID 102646636) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is (5-chloro-1,3-dimethylpyrazol-4-yl)-(3,4-dihydro-2H-pyran-6-yl)methanol.

Molecular Properties

Compound Name(5-chloro-1,3-dimethylpyrazol-4-yl)-(3,4-dihydro-2H-pyran-6-yl)methanol
PubChem CID102646636
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name(5-chloro-1,3-dimethylpyrazol-4-yl)-(3,4-dihydro-2H-pyran-6-yl)methanol
SMILESCc1nn(C)c(Cl)c1C(O)C1=CCCCO1
InChIInChI=1S/C11H15ClN2O2/c1-7-9(11(12)14(2)13-7)10(15)8-5-3-4-6-16-8/h5,10,15H,3-4,6H2,1-2H3
InChIKeyKWFQITALJJQINN-UHFFFAOYSA-N
XLogP2.11
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-2H-pyran-6-yl-(1,3,5-trimethylpyrazol-4-yl)methanol
CID 102649824
3,4-dihydro-2H-pyran-6-yl-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol
CID 102646637
3,4-dihydro-2H-pyran-6-yl-(3-methylimidazol-4-yl)methanol
CID 102646615
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 102648848
2,3-dihydrofuran-5-yl-(2,6-dimethylphenyl)methanol
CID 102650763
(2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol
CID 102649654
(4-tert-butylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol
CID 102646462
1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
CID 102653938
(R)-(5-chloro-1,3-dimethylpyrazol-4-yl)-(2-chloro-3-methoxyphenyl)methanol
CID 95559607
(5-chloro-1,3-dimethylpyrazol-4-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751736
2,3-dihydrofuran-5-yl-(3-ethylimidazol-4-yl)methanol
CID 102650676
3,4-dihydro-2H-pyran-6-yl-(2-methyloxolan-3-yl)methanol
CID 102649637

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1,3-dimethylpyrazol-4-yl)-(3,4-dihydro-2H-pyran-6-yl)methanol?
The IUPAC name of (5-chloro-1,3-dimethylpyrazol-4-yl)-(3,4-dihydro-2H-pyran-6-yl)methanol (CID 102646636) is (5-chloro-1,3-dimethylpyrazol-4-yl)-(3,4-dihydro-2H-pyran-6-yl)methanol.
What is the SMILES notation for (5-chloro-1,3-dimethylpyrazol-4-yl)-(3,4-dihydro-2H-pyran-6-yl)methanol?
The canonical SMILES for (5-chloro-1,3-dimethylpyrazol-4-yl)-(3,4-dihydro-2H-pyran-6-yl)methanol is Cc1nn(C)c(Cl)c1C(O)C1=CCCCO1.
What is the InChIKey of (5-chloro-1,3-dimethylpyrazol-4-yl)-(3,4-dihydro-2H-pyran-6-yl)methanol?
The InChIKey is KWFQITALJJQINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-7-9(11(12)14(2)13-7)10(15)8-5-3-4-6-16-8/h5,10,15H,3-4,6H2,1-2H3.
What are the key properties of (5-chloro-1,3-dimethylpyrazol-4-yl)-(3,4-dihydro-2H-pyran-6-yl)methanol?
(5-chloro-1,3-dimethylpyrazol-4-yl)-(3,4-dihydro-2H-pyran-6-yl)methanol has a molecular weight of 242.71 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1,3-dimethylpyrazol-4-yl)-(3,4-dihydro-2H-pyran-6-yl)methanol is sourced from PubChem (CID 102646636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).