5-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]-1H-pyrazole

C10H14N2O — CID 134393593

IUPAC5-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]-1H-pyrazole
SMILESc1cc(O[C@H]2C[C@H]3CC[C@@H]2C3)[nH]n1
InChIInChI=1S/C10H14N2O/c1-2-8-5-7(1)6-9(8)13-10-3-4-11-12-10/h3-4,7-9H,1-2,5-6H2,(H,11,12)/t7-,8+,9-/m0/s1
InChIKeyANYWKCPPGAHPQN-YIZRAAEISA-N
MW178.23 g/mol
LogP1.98
Rot. Bonds2

About 5-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]-1H-pyrazole

5-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]-1H-pyrazole (PubChem CID 134393593) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 5-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]-1H-pyrazole.

Molecular Properties

Compound Name5-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]-1H-pyrazole
PubChem CID134393593
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name5-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]-1H-pyrazole
SMILESc1cc(O[C@H]2C[C@H]3CC[C@@H]2C3)[nH]n1
InChIInChI=1S/C10H14N2O/c1-2-8-5-7(1)6-9(8)13-10-3-4-11-12-10/h3-4,7-9H,1-2,5-6H2,(H,11,12)/t7-,8+,9-/m0/s1
InChIKeyANYWKCPPGAHPQN-YIZRAAEISA-N
XLogP1.98
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]-1H-pyrazole?
The IUPAC name of 5-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]-1H-pyrazole (CID 134393593) is 5-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]-1H-pyrazole.
What is the SMILES notation for 5-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]-1H-pyrazole?
The canonical SMILES for 5-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]-1H-pyrazole is c1cc(O[C@H]2C[C@H]3CC[C@@H]2C3)[nH]n1.
What is the InChIKey of 5-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]-1H-pyrazole?
The InChIKey is ANYWKCPPGAHPQN-YIZRAAEISA-N. The full InChI is InChI=1S/C10H14N2O/c1-2-8-5-7(1)6-9(8)13-10-3-4-11-12-10/h3-4,7-9H,1-2,5-6H2,(H,11,12)/t7-,8+,9-/m0/s1.
What are the key properties of 5-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]-1H-pyrazole?
5-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]-1H-pyrazole has a molecular weight of 178.23 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]-1H-pyrazole is sourced from PubChem (CID 134393593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).