3-amino-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol

C9H17N3O — CID 64814500

IUPAC3-amino-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
SMILESCc1nn(C)c(C)c1C(N)CCO
InChIInChI=1S/C9H17N3O/c1-6-9(8(10)4-5-13)7(2)12(3)11-6/h8,13H,4-5,10H2,1-3H3
InChIKeyGKCBZHRWAUYXLC-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.42
Rot. Bonds3

About 3-amino-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol

3-amino-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol (PubChem CID 64814500) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-amino-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
PubChem CID64814500
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name3-amino-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
SMILESCc1nn(C)c(C)c1C(N)CCO
InChIInChI=1S/C9H17N3O/c1-6-9(8(10)4-5-13)7(2)12(3)11-6/h8,13H,4-5,10H2,1-3H3
InChIKeyGKCBZHRWAUYXLC-UHFFFAOYSA-N
XLogP0.42
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 ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 3-amino-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol (CID 64814500) is 3-amino-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 3-amino-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol is Cc1nn(C)c(C)c1C(N)CCO.
What is the InChIKey of 3-amino-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol?
The InChIKey is GKCBZHRWAUYXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-6-9(8(10)4-5-13)7(2)12(3)11-6/h8,13H,4-5,10H2,1-3H3.
What are the key properties of 3-amino-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol?
3-amino-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol has a molecular weight of 183.25 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 64814500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).