1,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-ol

C16H26N2O — CID 103006613

IUPAC1,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-ol
SMILESCn1nccc1CCC1(O)C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C16H26N2O/c1-14(2)12-5-8-15(3,11-12)16(14,19)9-6-13-7-10-17-18(13)4/h7,10,12,19H,5-6,8-9,11H2,1-4H3
InChIKeyLJDNWBZGSALAAD-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.93
Rot. Bonds3

About 1,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-ol

1,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-ol (PubChem CID 103006613) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name1,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-ol
PubChem CID103006613
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-ol
SMILESCn1nccc1CCC1(O)C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C16H26N2O/c1-14(2)12-5-8-15(3,11-12)16(14,19)9-6-13-7-10-17-18(13)4/h7,10,12,19H,5-6,8-9,11H2,1-4H3
InChIKeyLJDNWBZGSALAAD-UHFFFAOYSA-N
XLogP2.93
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 1,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-ol (CID 103006613) is 1,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 1,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 1,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-ol is Cn1nccc1CCC1(O)C2(C)CCC(C2)C1(C)C.
What is the InChIKey of 1,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-ol?
The InChIKey is LJDNWBZGSALAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14(2)12-5-8-15(3,11-12)16(14,19)9-6-13-7-10-17-18(13)4/h7,10,12,19H,5-6,8-9,11H2,1-4H3.
What are the key properties of 1,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-ol?
1,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-ol has a molecular weight of 262.40 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 103006613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).