2-(1-aminocyclopropyl)-1-(5-methyl-1H-pyrazol-4-yl)ethanol

C9H15N3O — CID 82408321

IUPAC2-(1-aminocyclopropyl)-1-(5-methyl-1H-pyrazol-4-yl)ethanol
SMILESCc1[nH]ncc1C(O)CC1(N)CC1
InChIInChI=1S/C9H15N3O/c1-6-7(5-11-12-6)8(13)4-9(10)2-3-9/h5,8,13H,2-4,10H2,1H3,(H,11,12)
InChIKeyWPVUDYQYHSGLCK-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.63
Rot. Bonds3

About 2-(1-aminocyclopropyl)-1-(5-methyl-1H-pyrazol-4-yl)ethanol

2-(1-aminocyclopropyl)-1-(5-methyl-1H-pyrazol-4-yl)ethanol (PubChem CID 82408321) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(1-aminocyclopropyl)-1-(5-methyl-1H-pyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(1-aminocyclopropyl)-1-(5-methyl-1H-pyrazol-4-yl)ethanol
PubChem CID82408321
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-(1-aminocyclopropyl)-1-(5-methyl-1H-pyrazol-4-yl)ethanol
SMILESCc1[nH]ncc1C(O)CC1(N)CC1
InChIInChI=1S/C9H15N3O/c1-6-7(5-11-12-6)8(13)4-9(10)2-3-9/h5,8,13H,2-4,10H2,1H3,(H,11,12)
InChIKeyWPVUDYQYHSGLCK-UHFFFAOYSA-N
XLogP0.63
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopropyl)-1-(5-methyl-1H-pyrazol-4-yl)ethanol?
The IUPAC name of 2-(1-aminocyclopropyl)-1-(5-methyl-1H-pyrazol-4-yl)ethanol (CID 82408321) is 2-(1-aminocyclopropyl)-1-(5-methyl-1H-pyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(1-aminocyclopropyl)-1-(5-methyl-1H-pyrazol-4-yl)ethanol?
The canonical SMILES for 2-(1-aminocyclopropyl)-1-(5-methyl-1H-pyrazol-4-yl)ethanol is Cc1[nH]ncc1C(O)CC1(N)CC1.
What is the InChIKey of 2-(1-aminocyclopropyl)-1-(5-methyl-1H-pyrazol-4-yl)ethanol?
The InChIKey is WPVUDYQYHSGLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6-7(5-11-12-6)8(13)4-9(10)2-3-9/h5,8,13H,2-4,10H2,1H3,(H,11,12).
What are the key properties of 2-(1-aminocyclopropyl)-1-(5-methyl-1H-pyrazol-4-yl)ethanol?
2-(1-aminocyclopropyl)-1-(5-methyl-1H-pyrazol-4-yl)ethanol has a molecular weight of 181.24 g/mol, XLogP of 0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopropyl)-1-(5-methyl-1H-pyrazol-4-yl)ethanol is sourced from PubChem (CID 82408321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).