1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-methoxypentan-1-ol

C12H21ClN2O3 — CID 105132601

IUPAC1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-methoxypentan-1-ol
SMILESCOCCn1ncc(Cl)c1C(O)CCC(C)OC
InChIInChI=1S/C12H21ClN2O3/c1-9(18-3)4-5-11(16)12-10(13)8-14-15(12)6-7-17-2/h8-9,11,16H,4-7H2,1-3H3
InChIKeyQSAHJWIHMFWZPU-UHFFFAOYSA-N
MW276.76 g/mol
LogP2.03
Rot. Bonds8

About 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-methoxypentan-1-ol

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-methoxypentan-1-ol (PubChem CID 105132601) has the molecular formula C12H21ClN2O3 and a molecular weight of 276.76 g/mol. Its IUPAC name is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-methoxypentan-1-ol.

Molecular Properties

Compound Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-methoxypentan-1-ol
PubChem CID105132601
Molecular FormulaC12H21ClN2O3
Molecular Weight276.76 g/mol
Exact Mass276.12
IUPAC Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-methoxypentan-1-ol
SMILESCOCCn1ncc(Cl)c1C(O)CCC(C)OC
InChIInChI=1S/C12H21ClN2O3/c1-9(18-3)4-5-11(16)12-10(13)8-14-15(12)6-7-17-2/h8-9,11,16H,4-7H2,1-3H3
InChIKeyQSAHJWIHMFWZPU-UHFFFAOYSA-N
XLogP2.03
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-methoxybutan-1-ol
CID 114645459
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(2-methoxyethoxy)propan-1-ol
CID 102927629
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpropan-1-ol
CID 114634657
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-methylpentan-1-ol
CID 115839361
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(4-methylphenyl)propan-1-ol
CID 105132635
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-pyridin-4-ylpropan-1-ol
CID 105132599
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopropylethanol
CID 114644981
1-(4-chloro-1-propylpyrazol-5-yl)-3-(2-methoxyethoxy)propan-1-ol
CID 102927699
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3,4-dimethylphenyl)ethanol
CID 114643482
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethanamine
CID 114657526
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylphenyl)methanol
CID 114634869
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-methylphenyl)ethanol
CID 114643232

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-methoxypentan-1-ol?
The IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-methoxypentan-1-ol (CID 105132601) is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-methoxypentan-1-ol.
What is the SMILES notation for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-methoxypentan-1-ol?
The canonical SMILES for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-methoxypentan-1-ol is COCCn1ncc(Cl)c1C(O)CCC(C)OC.
What is the InChIKey of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-methoxypentan-1-ol?
The InChIKey is QSAHJWIHMFWZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN2O3/c1-9(18-3)4-5-11(16)12-10(13)8-14-15(12)6-7-17-2/h8-9,11,16H,4-7H2,1-3H3.
What are the key properties of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-methoxypentan-1-ol?
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-methoxypentan-1-ol has a molecular weight of 276.76 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-methoxypentan-1-ol is sourced from PubChem (CID 105132601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).