(4-chloro-1-ethylpyrazol-5-yl)-(1,4-dioxan-2-yl)methanol

C10H15ClN2O3 — CID 115834933

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(1,4-dioxan-2-yl)methanol
SMILESCCn1ncc(Cl)c1C(O)C1COCCO1
InChIInChI=1S/C10H15ClN2O3/c1-2-13-9(7(11)5-12-13)10(14)8-6-15-3-4-16-8/h5,8,10,14H,2-4,6H2,1H3
InChIKeyYVSNQWUVUPUYEH-UHFFFAOYSA-N
MW246.69 g/mol
LogP1.01
Rot. Bonds3

About (4-chloro-1-ethylpyrazol-5-yl)-(1,4-dioxan-2-yl)methanol

(4-chloro-1-ethylpyrazol-5-yl)-(1,4-dioxan-2-yl)methanol (PubChem CID 115834933) has the molecular formula C10H15ClN2O3 and a molecular weight of 246.69 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(1,4-dioxan-2-yl)methanol.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(1,4-dioxan-2-yl)methanol
PubChem CID115834933
Molecular FormulaC10H15ClN2O3
Molecular Weight246.69 g/mol
Exact Mass246.08
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(1,4-dioxan-2-yl)methanol
SMILESCCn1ncc(Cl)c1C(O)C1COCCO1
InChIInChI=1S/C10H15ClN2O3/c1-2-13-9(7(11)5-12-13)10(14)8-6-15-3-4-16-8/h5,8,10,14H,2-4,6H2,1H3
InChIKeyYVSNQWUVUPUYEH-UHFFFAOYSA-N
XLogP1.01
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 115837206
1,4-dioxan-2-yl-(2-ethylpyrazol-3-yl)methanol
CID 65350804
1,4-dioxan-2-yl-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 115837776
(4-chloro-1-ethylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanol
CID 114645296
(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1,4-dithian-2-yl)methanol
CID 114645203
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1,4-dioxan-2-yl)methanol
CID 115835854
(4-bromo-1-methylpyrazol-5-yl)-(1,4-dioxan-2-yl)methanol
CID 115839299
1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 114654609
1-(1,4-dioxan-2-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
CID 105048056
1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 105040813
(4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanamine
CID 114657772
N-[(4-chloro-1-ethylpyrazol-5-yl)-(oxolan-3-yl)methyl]ethanamine
CID 114654751

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(1,4-dioxan-2-yl)methanol?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(1,4-dioxan-2-yl)methanol (CID 115834933) is (4-chloro-1-ethylpyrazol-5-yl)-(1,4-dioxan-2-yl)methanol.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(1,4-dioxan-2-yl)methanol?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(1,4-dioxan-2-yl)methanol is CCn1ncc(Cl)c1C(O)C1COCCO1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(1,4-dioxan-2-yl)methanol?
The InChIKey is YVSNQWUVUPUYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O3/c1-2-13-9(7(11)5-12-13)10(14)8-6-15-3-4-16-8/h5,8,10,14H,2-4,6H2,1H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(1,4-dioxan-2-yl)methanol?
(4-chloro-1-ethylpyrazol-5-yl)-(1,4-dioxan-2-yl)methanol has a molecular weight of 246.69 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-(1,4-dioxan-2-yl)methanol is sourced from PubChem (CID 115834933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).