cis-(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentan-1-ol

C12H21N3O — CID 162681549

IUPACcis-(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentan-1-ol
SMILESCC(C)(C)n1nc([C@H]2CC[C@@H](O)C2)cc1N
InChIInChI=1S/C12H21N3O/c1-12(2,3)15-11(13)7-10(14-15)8-4-5-9(16)6-8/h7-9,16H,4-6,13H2,1-3H3/t8-,9+/m0/s1
InChIKeyNPMYYNGDMKIHFG-DTWKUNHWSA-N
MW223.32 g/mol
LogP1.85
Rot. Bonds1

About cis-(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentan-1-ol

cis-(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentan-1-ol (PubChem CID 162681549) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is cis-(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentan-1-ol
PubChem CID162681549
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Namecis-(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentan-1-ol
SMILESCC(C)(C)n1nc([C@H]2CC[C@@H](O)C2)cc1N
InChIInChI=1S/C12H21N3O/c1-12(2,3)15-11(13)7-10(14-15)8-4-5-9(16)6-8/h7-9,16H,4-6,13H2,1-3H3/t8-,9+/m0/s1
InChIKeyNPMYYNGDMKIHFG-DTWKUNHWSA-N
XLogP1.85
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentan-1-ol?
The IUPAC name of cis-(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentan-1-ol (CID 162681549) is cis-(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentan-1-ol.
What is the SMILES notation for cis-(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentan-1-ol?
The canonical SMILES for cis-(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentan-1-ol is CC(C)(C)n1nc([C@H]2CC[C@@H](O)C2)cc1N.
What is the InChIKey of cis-(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentan-1-ol?
The InChIKey is NPMYYNGDMKIHFG-DTWKUNHWSA-N. The full InChI is InChI=1S/C12H21N3O/c1-12(2,3)15-11(13)7-10(14-15)8-4-5-9(16)6-8/h7-9,16H,4-6,13H2,1-3H3/t8-,9+/m0/s1.
What are the key properties of cis-(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentan-1-ol?
cis-(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentan-1-ol is sourced from PubChem (CID 162681549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).