7-bicyclo[4.1.0]heptanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol

C14H21ClN2O2 — CID 115839462

IUPAC7-bicyclo[4.1.0]heptanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
SMILESCOCCn1ncc(Cl)c1C(O)C1C2CCCCC21
InChIInChI=1S/C14H21ClN2O2/c1-19-7-6-17-13(11(15)8-16-17)14(18)12-9-4-2-3-5-10(9)12/h8-10,12,14,18H,2-7H2,1H3
InChIKeyHQSXKRAKPCQKEX-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.65
Rot. Bonds5

About 7-bicyclo[4.1.0]heptanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol

7-bicyclo[4.1.0]heptanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol (PubChem CID 115839462) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 7-bicyclo[4.1.0]heptanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol.

Molecular Properties

Compound Name7-bicyclo[4.1.0]heptanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
PubChem CID115839462
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name7-bicyclo[4.1.0]heptanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
SMILESCOCCn1ncc(Cl)c1C(O)C1C2CCCCC21
InChIInChI=1S/C14H21ClN2O2/c1-19-7-6-17-13(11(15)8-16-17)14(18)12-9-4-2-3-5-10(9)12/h8-10,12,14,18H,2-7H2,1H3
InChIKeyHQSXKRAKPCQKEX-UHFFFAOYSA-N
XLogP2.65
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-bicyclo[4.1.0]heptanyl-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 115835832
6-bicyclo[3.1.0]hexanyl-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol
CID 115834227
N-[6-bicyclo[3.1.0]hexanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine
CID 105054640
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopentylsulfanylethanol
CID 114643886
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopropylethanol
CID 114644981
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,4-dimethylpiperazin-2-yl)methanol
CID 114644706
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(oxan-2-yl)ethanol
CID 114645474
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpropan-1-ol
CID 114634657
[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-cyclopentylmethyl]hydrazine
CID 105204303
7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 115837767
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-ethylcyclopentyl)methanamine
CID 105054611
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylcyclopropyl)methanamine
CID 114658538

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.1.0]heptanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol?
The IUPAC name of 7-bicyclo[4.1.0]heptanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol (CID 115839462) is 7-bicyclo[4.1.0]heptanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol.
What is the SMILES notation for 7-bicyclo[4.1.0]heptanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol?
The canonical SMILES for 7-bicyclo[4.1.0]heptanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol is COCCn1ncc(Cl)c1C(O)C1C2CCCCC21.
What is the InChIKey of 7-bicyclo[4.1.0]heptanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol?
The InChIKey is HQSXKRAKPCQKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-19-7-6-17-13(11(15)8-16-17)14(18)12-9-4-2-3-5-10(9)12/h8-10,12,14,18H,2-7H2,1H3.
What are the key properties of 7-bicyclo[4.1.0]heptanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol?
7-bicyclo[4.1.0]heptanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol has a molecular weight of 284.79 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.1.0]heptanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol is sourced from PubChem (CID 115839462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).