cis-(1S,3R)-3-pyrazol-1-ylcyclopentan-1-ol

C8H12N2O — CID 67133889

IUPACcis-(1S,3R)-3-pyrazol-1-ylcyclopentan-1-ol
SMILESO[C@H]1CC[C@@H](n2cccn2)C1
InChIInChI=1S/C8H12N2O/c11-8-3-2-7(6-8)10-5-1-4-9-10/h1,4-5,7-8,11H,2-3,6H2/t7-,8+/m1/s1
InChIKeyCLWOGKLJNSKVDP-SFYZADRCSA-N
MW152.20 g/mol
LogP0.97
Rot. Bonds1

About cis-(1S,3R)-3-pyrazol-1-ylcyclopentan-1-ol

cis-(1S,3R)-3-pyrazol-1-ylcyclopentan-1-ol (PubChem CID 67133889) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is cis-(1S,3R)-3-pyrazol-1-ylcyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1S,3R)-3-pyrazol-1-ylcyclopentan-1-ol
PubChem CID67133889
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Namecis-(1S,3R)-3-pyrazol-1-ylcyclopentan-1-ol
SMILESO[C@H]1CC[C@@H](n2cccn2)C1
InChIInChI=1S/C8H12N2O/c11-8-3-2-7(6-8)10-5-1-4-9-10/h1,4-5,7-8,11H,2-3,6H2/t7-,8+/m1/s1
InChIKeyCLWOGKLJNSKVDP-SFYZADRCSA-N
XLogP0.97
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-pyrazol-1-ylcyclopentan-1-ol?
The IUPAC name of cis-(1S,3R)-3-pyrazol-1-ylcyclopentan-1-ol (CID 67133889) is cis-(1S,3R)-3-pyrazol-1-ylcyclopentan-1-ol.
What is the SMILES notation for cis-(1S,3R)-3-pyrazol-1-ylcyclopentan-1-ol?
The canonical SMILES for cis-(1S,3R)-3-pyrazol-1-ylcyclopentan-1-ol is O[C@H]1CC[C@@H](n2cccn2)C1.
What is the InChIKey of cis-(1S,3R)-3-pyrazol-1-ylcyclopentan-1-ol?
The InChIKey is CLWOGKLJNSKVDP-SFYZADRCSA-N. The full InChI is InChI=1S/C8H12N2O/c11-8-3-2-7(6-8)10-5-1-4-9-10/h1,4-5,7-8,11H,2-3,6H2/t7-,8+/m1/s1.
What are the key properties of cis-(1S,3R)-3-pyrazol-1-ylcyclopentan-1-ol?
cis-(1S,3R)-3-pyrazol-1-ylcyclopentan-1-ol has a molecular weight of 152.20 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-pyrazol-1-ylcyclopentan-1-ol is sourced from PubChem (CID 67133889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).