3-(1-aminoethyl)-1-butan-2-ylpyrazol-4-ol

C9H17N3O — CID 165467846

IUPAC3-(1-aminoethyl)-1-butan-2-ylpyrazol-4-ol
SMILESCCC(C)n1cc(O)c(C(C)N)n1
InChIInChI=1S/C9H17N3O/c1-4-6(2)12-5-8(13)9(11-12)7(3)10/h5-7,13H,4,10H2,1-3H3
InChIKeyIABNSXZGIDEOSS-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.58
Rot. Bonds3

About 3-(1-aminoethyl)-1-butan-2-ylpyrazol-4-ol

3-(1-aminoethyl)-1-butan-2-ylpyrazol-4-ol (PubChem CID 165467846) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-(1-aminoethyl)-1-butan-2-ylpyrazol-4-ol.

Molecular Properties

Compound Name3-(1-aminoethyl)-1-butan-2-ylpyrazol-4-ol
PubChem CID165467846
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name3-(1-aminoethyl)-1-butan-2-ylpyrazol-4-ol
SMILESCCC(C)n1cc(O)c(C(C)N)n1
InChIInChI=1S/C9H17N3O/c1-4-6(2)12-5-8(13)9(11-12)7(3)10/h5-7,13H,4,10H2,1-3H3
InChIKeyIABNSXZGIDEOSS-UHFFFAOYSA-N
XLogP1.58
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-1-butan-2-ylpyrazol-4-ol?
The IUPAC name of 3-(1-aminoethyl)-1-butan-2-ylpyrazol-4-ol (CID 165467846) is 3-(1-aminoethyl)-1-butan-2-ylpyrazol-4-ol.
What is the SMILES notation for 3-(1-aminoethyl)-1-butan-2-ylpyrazol-4-ol?
The canonical SMILES for 3-(1-aminoethyl)-1-butan-2-ylpyrazol-4-ol is CCC(C)n1cc(O)c(C(C)N)n1.
What is the InChIKey of 3-(1-aminoethyl)-1-butan-2-ylpyrazol-4-ol?
The InChIKey is IABNSXZGIDEOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-4-6(2)12-5-8(13)9(11-12)7(3)10/h5-7,13H,4,10H2,1-3H3.
What are the key properties of 3-(1-aminoethyl)-1-butan-2-ylpyrazol-4-ol?
3-(1-aminoethyl)-1-butan-2-ylpyrazol-4-ol has a molecular weight of 183.25 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-1-butan-2-ylpyrazol-4-ol is sourced from PubChem (CID 165467846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).