8-(4-chloro-1-ethylpyrazol-5-yl)tricyclo[5.2.1.02,6]decan-8-ol

C15H21ClN2O — CID 114633223

IUPAC8-(4-chloro-1-ethylpyrazol-5-yl)tricyclo[5.2.1.02,6]decan-8-ol
SMILESCCn1ncc(Cl)c1C1(O)CC2CC1C1CCCC21
InChIInChI=1S/C15H21ClN2O/c1-2-18-14(13(16)8-17-18)15(19)7-9-6-12(15)11-5-3-4-10(9)11/h8-12,19H,2-7H2,1H3
InChIKeyHKZIVIDJAMOXEV-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.20
Rot. Bonds2

About 8-(4-chloro-1-ethylpyrazol-5-yl)tricyclo[5.2.1.02,6]decan-8-ol

8-(4-chloro-1-ethylpyrazol-5-yl)tricyclo[5.2.1.02,6]decan-8-ol (PubChem CID 114633223) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 8-(4-chloro-1-ethylpyrazol-5-yl)tricyclo[5.2.1.02,6]decan-8-ol.

Molecular Properties

Compound Name8-(4-chloro-1-ethylpyrazol-5-yl)tricyclo[5.2.1.02,6]decan-8-ol
PubChem CID114633223
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name8-(4-chloro-1-ethylpyrazol-5-yl)tricyclo[5.2.1.02,6]decan-8-ol
SMILESCCn1ncc(Cl)c1C1(O)CC2CC1C1CCCC21
InChIInChI=1S/C15H21ClN2O/c1-2-18-14(13(16)8-17-18)15(19)7-9-6-12(15)11-5-3-4-10(9)11/h8-12,19H,2-7H2,1H3
InChIKeyHKZIVIDJAMOXEV-UHFFFAOYSA-N
XLogP3.20
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(4-chloro-1-ethylpyrazol-5-yl)tricyclo[5.2.1.02,6]decan-8-ol?
The IUPAC name of 8-(4-chloro-1-ethylpyrazol-5-yl)tricyclo[5.2.1.02,6]decan-8-ol (CID 114633223) is 8-(4-chloro-1-ethylpyrazol-5-yl)tricyclo[5.2.1.02,6]decan-8-ol.
What is the SMILES notation for 8-(4-chloro-1-ethylpyrazol-5-yl)tricyclo[5.2.1.02,6]decan-8-ol?
The canonical SMILES for 8-(4-chloro-1-ethylpyrazol-5-yl)tricyclo[5.2.1.02,6]decan-8-ol is CCn1ncc(Cl)c1C1(O)CC2CC1C1CCCC21.
What is the InChIKey of 8-(4-chloro-1-ethylpyrazol-5-yl)tricyclo[5.2.1.02,6]decan-8-ol?
The InChIKey is HKZIVIDJAMOXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-2-18-14(13(16)8-17-18)15(19)7-9-6-12(15)11-5-3-4-10(9)11/h8-12,19H,2-7H2,1H3.
What are the key properties of 8-(4-chloro-1-ethylpyrazol-5-yl)tricyclo[5.2.1.02,6]decan-8-ol?
8-(4-chloro-1-ethylpyrazol-5-yl)tricyclo[5.2.1.02,6]decan-8-ol has a molecular weight of 280.80 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chloro-1-ethylpyrazol-5-yl)tricyclo[5.2.1.02,6]decan-8-ol is sourced from PubChem (CID 114633223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).