1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]cyclopropan-1-ol

C13H15N3O — CID 115111918

IUPAC1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]cyclopropan-1-ol
SMILESCn1nc(-c2ccccc2C2(O)CC2)cc1N
InChIInChI=1S/C13H15N3O/c1-16-12(14)8-11(15-16)9-4-2-3-5-10(9)13(17)6-7-13/h2-5,8,17H,6-7,14H2,1H3
InChIKeyGNCOIIFEHXEWHS-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.65
Rot. Bonds2

About 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]cyclopropan-1-ol

1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]cyclopropan-1-ol (PubChem CID 115111918) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]cyclopropan-1-ol
PubChem CID115111918
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]cyclopropan-1-ol
SMILESCn1nc(-c2ccccc2C2(O)CC2)cc1N
InChIInChI=1S/C13H15N3O/c1-16-12(14)8-11(15-16)9-4-2-3-5-10(9)13(17)6-7-13/h2-5,8,17H,6-7,14H2,1H3
InChIKeyGNCOIIFEHXEWHS-UHFFFAOYSA-N
XLogP1.65
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]cyclopropan-1-ol?
The IUPAC name of 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]cyclopropan-1-ol (CID 115111918) is 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]cyclopropan-1-ol is Cn1nc(-c2ccccc2C2(O)CC2)cc1N.
What is the InChIKey of 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]cyclopropan-1-ol?
The InChIKey is GNCOIIFEHXEWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-16-12(14)8-11(15-16)9-4-2-3-5-10(9)13(17)6-7-13/h2-5,8,17H,6-7,14H2,1H3.
What are the key properties of 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]cyclopropan-1-ol?
1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]cyclopropan-1-ol has a molecular weight of 229.28 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]cyclopropan-1-ol is sourced from PubChem (CID 115111918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).