2-(methylamino)-1-(1-prop-2-ynylpyrazol-4-yl)ethanol

C9H13N3O — CID 84767892

IUPAC2-(methylamino)-1-(1-prop-2-ynylpyrazol-4-yl)ethanol
SMILESC#CCn1cc(C(O)CNC)cn1
InChIInChI=1S/C9H13N3O/c1-3-4-12-7-8(5-11-12)9(13)6-10-2/h1,5,7,9-10,13H,4,6H2,2H3
InChIKeyLDGPDEBEBUCKBK-UHFFFAOYSA-N
MW179.22 g/mol
LogP-0.23
Rot. Bonds4

About 2-(methylamino)-1-(1-prop-2-ynylpyrazol-4-yl)ethanol

2-(methylamino)-1-(1-prop-2-ynylpyrazol-4-yl)ethanol (PubChem CID 84767892) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(methylamino)-1-(1-prop-2-ynylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(methylamino)-1-(1-prop-2-ynylpyrazol-4-yl)ethanol
PubChem CID84767892
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-(methylamino)-1-(1-prop-2-ynylpyrazol-4-yl)ethanol
SMILESC#CCn1cc(C(O)CNC)cn1
InChIInChI=1S/C9H13N3O/c1-3-4-12-7-8(5-11-12)9(13)6-10-2/h1,5,7,9-10,13H,4,6H2,2H3
InChIKeyLDGPDEBEBUCKBK-UHFFFAOYSA-N
XLogP-0.23
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-(1-prop-2-ynylpyrazol-4-yl)propan-1-ol
CID 84767898
3-amino-3-(1-prop-2-ynylpyrazol-4-yl)propan-1-ol
CID 84767896
1-(1-propylpyrazol-4-yl)pent-4-yn-1-ol
CID 103572625
2-(methylamino)-1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanol
CID 84772647
N-[2-(1-ethylpyrazol-4-yl)-2-hydroxyethyl]acetamide
CID 157036975
2-amino-1-(1-ethylpyrazol-4-yl)ethanol
CID 55264385
2-amino-3-(1-prop-2-ynylpyrazol-4-yl)propanoic acid
CID 84772644
1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanol
CID 55061914
1-but-3-ynyl-4-propan-2-ylpyrazole
CID 88570779
2-amino-1-[1-(2-methylpropyl)pyrazol-4-yl]ethanol
CID 82407041
(1S)-2-(methylamino)-1-pyridin-3-ylethanol
CID 10171254
3-(1-prop-2-ynylpyrazol-4-yl)propanoic acid
CID 84767566

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(1-prop-2-ynylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(methylamino)-1-(1-prop-2-ynylpyrazol-4-yl)ethanol (CID 84767892) is 2-(methylamino)-1-(1-prop-2-ynylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(methylamino)-1-(1-prop-2-ynylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(methylamino)-1-(1-prop-2-ynylpyrazol-4-yl)ethanol is C#CCn1cc(C(O)CNC)cn1.
What is the InChIKey of 2-(methylamino)-1-(1-prop-2-ynylpyrazol-4-yl)ethanol?
The InChIKey is LDGPDEBEBUCKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-3-4-12-7-8(5-11-12)9(13)6-10-2/h1,5,7,9-10,13H,4,6H2,2H3.
What are the key properties of 2-(methylamino)-1-(1-prop-2-ynylpyrazol-4-yl)ethanol?
2-(methylamino)-1-(1-prop-2-ynylpyrazol-4-yl)ethanol has a molecular weight of 179.22 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(1-prop-2-ynylpyrazol-4-yl)ethanol is sourced from PubChem (CID 84767892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).