2-amino-1-(1-prop-2-ynylpyrazol-4-yl)propan-1-ol

C9H13N3O — CID 84767898

IUPAC2-amino-1-(1-prop-2-ynylpyrazol-4-yl)propan-1-ol
SMILESC#CCn1cc(C(O)C(C)N)cn1
InChIInChI=1S/C9H13N3O/c1-3-4-12-6-8(5-11-12)9(13)7(2)10/h1,5-7,9,13H,4,10H2,2H3
InChIKeySKVFGCILFAITJY-UHFFFAOYSA-N
MW179.22 g/mol
LogP-0.10
Rot. Bonds3

About 2-amino-1-(1-prop-2-ynylpyrazol-4-yl)propan-1-ol

2-amino-1-(1-prop-2-ynylpyrazol-4-yl)propan-1-ol (PubChem CID 84767898) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-amino-1-(1-prop-2-ynylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(1-prop-2-ynylpyrazol-4-yl)propan-1-ol
PubChem CID84767898
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-amino-1-(1-prop-2-ynylpyrazol-4-yl)propan-1-ol
SMILESC#CCn1cc(C(O)C(C)N)cn1
InChIInChI=1S/C9H13N3O/c1-3-4-12-6-8(5-11-12)9(13)7(2)10/h1,5-7,9,13H,4,10H2,2H3
InChIKeySKVFGCILFAITJY-UHFFFAOYSA-N
XLogP-0.10
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1-prop-2-ynylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 2-amino-1-(1-prop-2-ynylpyrazol-4-yl)propan-1-ol (CID 84767898) is 2-amino-1-(1-prop-2-ynylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 2-amino-1-(1-prop-2-ynylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 2-amino-1-(1-prop-2-ynylpyrazol-4-yl)propan-1-ol is C#CCn1cc(C(O)C(C)N)cn1.
What is the InChIKey of 2-amino-1-(1-prop-2-ynylpyrazol-4-yl)propan-1-ol?
The InChIKey is SKVFGCILFAITJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-3-4-12-6-8(5-11-12)9(13)7(2)10/h1,5-7,9,13H,4,10H2,2H3.
What are the key properties of 2-amino-1-(1-prop-2-ynylpyrazol-4-yl)propan-1-ol?
2-amino-1-(1-prop-2-ynylpyrazol-4-yl)propan-1-ol has a molecular weight of 179.22 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1-prop-2-ynylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 84767898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).