2-[2-(1-methylpyrazol-4-yl)ethylamino]propan-1-ol

C9H17N3O — CID 103000884

IUPAC2-[2-(1-methylpyrazol-4-yl)ethylamino]propan-1-ol
SMILESCC(CO)NCCc1cnn(C)c1
InChIInChI=1S/C9H17N3O/c1-8(7-13)10-4-3-9-5-11-12(2)6-9/h5-6,8,10,13H,3-4,7H2,1-2H3
InChIKeyRMZFTWULTUILSV-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.07
Rot. Bonds5

About 2-[2-(1-methylpyrazol-4-yl)ethylamino]propan-1-ol

2-[2-(1-methylpyrazol-4-yl)ethylamino]propan-1-ol (PubChem CID 103000884) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[2-(1-methylpyrazol-4-yl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name2-[2-(1-methylpyrazol-4-yl)ethylamino]propan-1-ol
PubChem CID103000884
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-[2-(1-methylpyrazol-4-yl)ethylamino]propan-1-ol
SMILESCC(CO)NCCc1cnn(C)c1
InChIInChI=1S/C9H17N3O/c1-8(7-13)10-4-3-9-5-11-12(2)6-9/h5-6,8,10,13H,3-4,7H2,1-2H3
InChIKeyRMZFTWULTUILSV-UHFFFAOYSA-N
XLogP-0.07
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-2-ol
CID 103001980
4-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-1-ol
CID 103947686
4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentan-2-amine
CID 103015314
3-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol
CID 80689060
4,4,4-trifluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine
CID 115710852
3-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]butanoic acid
CID 103004675
4,4-dimethyl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-1-ol
CID 104628271
(2S)-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-pyrazol-1-ylbutan-2-amine
CID 124594412
N,N-dimethyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]propanamide
CID 80688817
5-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine
CID 64504956
N-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylpropan-2-amine
CID 103778177
2-(1-methylpyrazol-4-yl)ethanol
CID 17028076

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpyrazol-4-yl)ethylamino]propan-1-ol?
The IUPAC name of 2-[2-(1-methylpyrazol-4-yl)ethylamino]propan-1-ol (CID 103000884) is 2-[2-(1-methylpyrazol-4-yl)ethylamino]propan-1-ol.
What is the SMILES notation for 2-[2-(1-methylpyrazol-4-yl)ethylamino]propan-1-ol?
The canonical SMILES for 2-[2-(1-methylpyrazol-4-yl)ethylamino]propan-1-ol is CC(CO)NCCc1cnn(C)c1.
What is the InChIKey of 2-[2-(1-methylpyrazol-4-yl)ethylamino]propan-1-ol?
The InChIKey is RMZFTWULTUILSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-8(7-13)10-4-3-9-5-11-12(2)6-9/h5-6,8,10,13H,3-4,7H2,1-2H3.
What are the key properties of 2-[2-(1-methylpyrazol-4-yl)ethylamino]propan-1-ol?
2-[2-(1-methylpyrazol-4-yl)ethylamino]propan-1-ol has a molecular weight of 183.25 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpyrazol-4-yl)ethylamino]propan-1-ol is sourced from PubChem (CID 103000884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).