1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,3-dihydroinden-1-ol

C15H17ClN2O2 — CID 114633294

IUPAC1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,3-dihydroinden-1-ol
SMILESCOCCn1ncc(Cl)c1C1(O)CCc2ccccc21
InChIInChI=1S/C15H17ClN2O2/c1-20-9-8-18-14(13(16)10-17-18)15(19)7-6-11-4-2-3-5-12(11)15/h2-5,10,19H,6-9H2,1H3
InChIKeyICJQSIMELMOBLO-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.37
Rot. Bonds4

About 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,3-dihydroinden-1-ol

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,3-dihydroinden-1-ol (PubChem CID 114633294) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,3-dihydroinden-1-ol
PubChem CID114633294
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,3-dihydroinden-1-ol
SMILESCOCCn1ncc(Cl)c1C1(O)CCc2ccccc21
InChIInChI=1S/C15H17ClN2O2/c1-20-9-8-18-14(13(16)10-17-18)15(19)7-6-11-4-2-3-5-12(11)15/h2-5,10,19H,6-9H2,1H3
InChIKeyICJQSIMELMOBLO-UHFFFAOYSA-N
XLogP2.37
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chloro-1-propylpyrazol-5-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 114633273
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]cyclobutan-1-ol
CID 114636731
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-fluoro-2,3-dihydroinden-1-ol
CID 114637980
3-amino-1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]cyclopentan-1-ol
CID 114637213
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-propylcyclohexan-1-ol
CID 114633115
1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dihydroinden-1-ol
CID 114633293
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-phenylcyclopropyl)methanone
CID 114640014
1-(2-propylpyrazol-3-yl)-2,3-dihydroinden-1-ol
CID 63976085
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-propylcycloheptan-1-ol
CID 114636297
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzothiophen-2-yl)methanol
CID 105132699
5-(2-tert-butylpyrrolidin-2-yl)-4-chloro-1-(2-methoxyethyl)pyrazole
CID 114656492
2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethylazepane
CID 114657340

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,3-dihydroinden-1-ol?
The IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,3-dihydroinden-1-ol (CID 114633294) is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,3-dihydroinden-1-ol is COCCn1ncc(Cl)c1C1(O)CCc2ccccc21.
What is the InChIKey of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,3-dihydroinden-1-ol?
The InChIKey is ICJQSIMELMOBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-20-9-8-18-14(13(16)10-17-18)15(19)7-6-11-4-2-3-5-12(11)15/h2-5,10,19H,6-9H2,1H3.
What are the key properties of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,3-dihydroinden-1-ol?
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,3-dihydroinden-1-ol has a molecular weight of 292.77 g/mol, XLogP of 2.37, 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-(2-methoxyethyl)pyrazol-5-yl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 114633294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).