2-[5-amino-3-[(1R,2R)-2-ethylcyclopropyl]pyrazol-1-yl]ethanol

C10H17N3O — CID 165492354

IUPAC2-[5-amino-3-[(1R,2R)-2-ethylcyclopropyl]pyrazol-1-yl]ethanol
SMILESCC[C@@H]1C[C@H]1c1cc(N)n(CCO)n1
InChIInChI=1S/C10H17N3O/c1-2-7-5-8(7)9-6-10(11)13(12-9)3-4-14/h6-8,14H,2-5,11H2,1H3/t7-,8-/m1/s1
InChIKeyXLBSITJHYSUBIS-HTQZYQBOSA-N
MW195.27 g/mol
LogP0.97
Rot. Bonds4

About 2-[5-amino-3-[(1R,2R)-2-ethylcyclopropyl]pyrazol-1-yl]ethanol

2-[5-amino-3-[(1R,2R)-2-ethylcyclopropyl]pyrazol-1-yl]ethanol (PubChem CID 165492354) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-[5-amino-3-[(1R,2R)-2-ethylcyclopropyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-amino-3-[(1R,2R)-2-ethylcyclopropyl]pyrazol-1-yl]ethanol
PubChem CID165492354
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-[5-amino-3-[(1R,2R)-2-ethylcyclopropyl]pyrazol-1-yl]ethanol
SMILESCC[C@@H]1C[C@H]1c1cc(N)n(CCO)n1
InChIInChI=1S/C10H17N3O/c1-2-7-5-8(7)9-6-10(11)13(12-9)3-4-14/h6-8,14H,2-5,11H2,1H3/t7-,8-/m1/s1
InChIKeyXLBSITJHYSUBIS-HTQZYQBOSA-N
XLogP0.97
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-[(1R,2R)-2-ethylcyclopropyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-amino-3-[(1R,2R)-2-ethylcyclopropyl]pyrazol-1-yl]ethanol (CID 165492354) is 2-[5-amino-3-[(1R,2R)-2-ethylcyclopropyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-amino-3-[(1R,2R)-2-ethylcyclopropyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-amino-3-[(1R,2R)-2-ethylcyclopropyl]pyrazol-1-yl]ethanol is CC[C@@H]1C[C@H]1c1cc(N)n(CCO)n1.
What is the InChIKey of 2-[5-amino-3-[(1R,2R)-2-ethylcyclopropyl]pyrazol-1-yl]ethanol?
The InChIKey is XLBSITJHYSUBIS-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-7-5-8(7)9-6-10(11)13(12-9)3-4-14/h6-8,14H,2-5,11H2,1H3/t7-,8-/m1/s1.
What are the key properties of 2-[5-amino-3-[(1R,2R)-2-ethylcyclopropyl]pyrazol-1-yl]ethanol?
2-[5-amino-3-[(1R,2R)-2-ethylcyclopropyl]pyrazol-1-yl]ethanol has a molecular weight of 195.27 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-[(1R,2R)-2-ethylcyclopropyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 165492354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).