3-amino-1-(3-tert-butyl-1H-pyrazol-5-yl)propan-1-ol

C10H19N3O — CID 83831398

IUPAC3-amino-1-(3-tert-butyl-1H-pyrazol-5-yl)propan-1-ol
SMILESCC(C)(C)c1cc(C(O)CCN)[nH]n1
InChIInChI=1S/C10H19N3O/c1-10(2,3)9-6-7(12-13-9)8(14)4-5-11/h6,8,14H,4-5,11H2,1-3H3,(H,12,13)
InChIKeyQLRAMZFTTWUBQE-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.09
Rot. Bonds3

About 3-amino-1-(3-tert-butyl-1H-pyrazol-5-yl)propan-1-ol

3-amino-1-(3-tert-butyl-1H-pyrazol-5-yl)propan-1-ol (PubChem CID 83831398) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-amino-1-(3-tert-butyl-1H-pyrazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-tert-butyl-1H-pyrazol-5-yl)propan-1-ol
PubChem CID83831398
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3-amino-1-(3-tert-butyl-1H-pyrazol-5-yl)propan-1-ol
SMILESCC(C)(C)c1cc(C(O)CCN)[nH]n1
InChIInChI=1S/C10H19N3O/c1-10(2,3)9-6-7(12-13-9)8(14)4-5-11/h6,8,14H,4-5,11H2,1-3H3,(H,12,13)
InChIKeyQLRAMZFTTWUBQE-UHFFFAOYSA-N
XLogP1.09
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-tert-butyl-1H-pyrazol-5-yl)propan-1-ol?
The IUPAC name of 3-amino-1-(3-tert-butyl-1H-pyrazol-5-yl)propan-1-ol (CID 83831398) is 3-amino-1-(3-tert-butyl-1H-pyrazol-5-yl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(3-tert-butyl-1H-pyrazol-5-yl)propan-1-ol?
The canonical SMILES for 3-amino-1-(3-tert-butyl-1H-pyrazol-5-yl)propan-1-ol is CC(C)(C)c1cc(C(O)CCN)[nH]n1.
What is the InChIKey of 3-amino-1-(3-tert-butyl-1H-pyrazol-5-yl)propan-1-ol?
The InChIKey is QLRAMZFTTWUBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-10(2,3)9-6-7(12-13-9)8(14)4-5-11/h6,8,14H,4-5,11H2,1-3H3,(H,12,13).
What are the key properties of 3-amino-1-(3-tert-butyl-1H-pyrazol-5-yl)propan-1-ol?
3-amino-1-(3-tert-butyl-1H-pyrazol-5-yl)propan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-tert-butyl-1H-pyrazol-5-yl)propan-1-ol is sourced from PubChem (CID 83831398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).