1-(4-aminopyrazol-1-yl)-3-(dimethylamino)propan-2-ol

C8H16N4O — CID 43369894

IUPAC1-(4-aminopyrazol-1-yl)-3-(dimethylamino)propan-2-ol
SMILESCN(C)CC(O)Cn1cc(N)cn1
InChIInChI=1S/C8H16N4O/c1-11(2)5-8(13)6-12-4-7(9)3-10-12/h3-4,8,13H,5-6,9H2,1-2H3
InChIKeyFKYHZSPIYLDCFV-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.61
Rot. Bonds4

About 1-(4-aminopyrazol-1-yl)-3-(dimethylamino)propan-2-ol

1-(4-aminopyrazol-1-yl)-3-(dimethylamino)propan-2-ol (PubChem CID 43369894) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(4-aminopyrazol-1-yl)-3-(dimethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-aminopyrazol-1-yl)-3-(dimethylamino)propan-2-ol
PubChem CID43369894
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name1-(4-aminopyrazol-1-yl)-3-(dimethylamino)propan-2-ol
SMILESCN(C)CC(O)Cn1cc(N)cn1
InChIInChI=1S/C8H16N4O/c1-11(2)5-8(13)6-12-4-7(9)3-10-12/h3-4,8,13H,5-6,9H2,1-2H3
InChIKeyFKYHZSPIYLDCFV-UHFFFAOYSA-N
XLogP-0.61
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopyrazol-1-yl)-3-(dimethylamino)propan-2-ol?
The IUPAC name of 1-(4-aminopyrazol-1-yl)-3-(dimethylamino)propan-2-ol (CID 43369894) is 1-(4-aminopyrazol-1-yl)-3-(dimethylamino)propan-2-ol.
What is the SMILES notation for 1-(4-aminopyrazol-1-yl)-3-(dimethylamino)propan-2-ol?
The canonical SMILES for 1-(4-aminopyrazol-1-yl)-3-(dimethylamino)propan-2-ol is CN(C)CC(O)Cn1cc(N)cn1.
What is the InChIKey of 1-(4-aminopyrazol-1-yl)-3-(dimethylamino)propan-2-ol?
The InChIKey is FKYHZSPIYLDCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-11(2)5-8(13)6-12-4-7(9)3-10-12/h3-4,8,13H,5-6,9H2,1-2H3.
What are the key properties of 1-(4-aminopyrazol-1-yl)-3-(dimethylamino)propan-2-ol?
1-(4-aminopyrazol-1-yl)-3-(dimethylamino)propan-2-ol has a molecular weight of 184.24 g/mol, XLogP of -0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopyrazol-1-yl)-3-(dimethylamino)propan-2-ol is sourced from PubChem (CID 43369894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).