1-(4-chloro-1-methylpyrazol-5-yl)-3-(oxolan-2-yl)propan-1-ol

C11H17ClN2O2 — CID 115836748

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-3-(oxolan-2-yl)propan-1-ol
SMILESCn1ncc(Cl)c1C(O)CCC1CCCO1
InChIInChI=1S/C11H17ClN2O2/c1-14-11(9(12)7-13-14)10(15)5-4-8-3-2-6-16-8/h7-8,10,15H,2-6H2,1H3
InChIKeyGVADYFZIGNNYIN-UHFFFAOYSA-N
MW244.72 g/mol
LogP2.07
Rot. Bonds4

About 1-(4-chloro-1-methylpyrazol-5-yl)-3-(oxolan-2-yl)propan-1-ol

1-(4-chloro-1-methylpyrazol-5-yl)-3-(oxolan-2-yl)propan-1-ol (PubChem CID 115836748) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-3-(oxolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-3-(oxolan-2-yl)propan-1-ol
PubChem CID115836748
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-3-(oxolan-2-yl)propan-1-ol
SMILESCn1ncc(Cl)c1C(O)CCC1CCCO1
InChIInChI=1S/C11H17ClN2O2/c1-14-11(9(12)7-13-14)10(15)5-4-8-3-2-6-16-8/h7-8,10,15H,2-6H2,1H3
InChIKeyGVADYFZIGNNYIN-UHFFFAOYSA-N
XLogP2.07
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-chloro-5-[1-hydrazinyl-3-(oxolan-2-yl)propyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105335717
1-(4-chloro-1-methylpyrazol-5-yl)-2-cycloheptylethanol
CID 115836779
1-(4-chloro-3-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65161657
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-(oxan-2-yl)propan-1-ol
CID 115837343
3-(oxan-2-yl)-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 114981610
1-(4-chloro-1-methylpyrazol-5-yl)decan-1-ol
CID 115836696
1-(4-chloro-1-methylpyrazol-5-yl)heptan-1-ol
CID 114635666
1-(4-chloro-1-methylpyrazol-5-yl)nonan-1-ol
CID 115836753
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(oxan-2-yl)ethanol
CID 114645474
1-(6-methyl-3-pyridinyl)-3-(oxolan-2-yl)propan-1-ol
CID 104822985
1-(2-chloro-5-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 105397716
1-(3-cyclopropylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol
CID 66139463

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-3-(oxolan-2-yl)propan-1-ol?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-3-(oxolan-2-yl)propan-1-ol (CID 115836748) is 1-(4-chloro-1-methylpyrazol-5-yl)-3-(oxolan-2-yl)propan-1-ol.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-3-(oxolan-2-yl)propan-1-ol?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-3-(oxolan-2-yl)propan-1-ol is Cn1ncc(Cl)c1C(O)CCC1CCCO1.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-3-(oxolan-2-yl)propan-1-ol?
The InChIKey is GVADYFZIGNNYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2/c1-14-11(9(12)7-13-14)10(15)5-4-8-3-2-6-16-8/h7-8,10,15H,2-6H2,1H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-3-(oxolan-2-yl)propan-1-ol?
1-(4-chloro-1-methylpyrazol-5-yl)-3-(oxolan-2-yl)propan-1-ol has a molecular weight of 244.72 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-3-(oxolan-2-yl)propan-1-ol is sourced from PubChem (CID 115836748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).