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

C14H19N3O — CID 81343823

IUPAC2-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol
SMILESCC(CO)NC(C)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H19N3O/c1-11(10-18)16-12(2)13-8-15-17(9-13)14-6-4-3-5-7-14/h3-9,11-12,16,18H,10H2,1-2H3
InChIKeyGOEVZFYADQDCFM-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.90
Rot. Bonds5

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

2-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol (PubChem CID 81343823) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name2-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol
PubChem CID81343823
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol
SMILESCC(CO)NC(C)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H19N3O/c1-11(10-18)16-12(2)13-8-15-17(9-13)14-6-4-3-5-7-14/h3-9,11-12,16,18H,10H2,1-2H3
InChIKeyGOEVZFYADQDCFM-UHFFFAOYSA-N
XLogP1.90
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-1-ol
CID 81319723
2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol
CID 81302041
3-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]butan-2-amine
CID 81300600
4-methoxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]butan-1-ol
CID 103785449
1-(1-phenylpyrazol-4-yl)ethylhydrazine
CID 81470645
2,2-difluoro-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol
CID 104860544
N-[1-(1-phenylpyrazol-4-yl)ethyl]hex-1-yn-3-amine
CID 106227178
N-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine
CID 82706482
(1S)-1-cyclopentyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]ethanamine
CID 81473468
2-[1-(1-phenylpyrazol-4-yl)ethylamino]acetamide
CID 81470640
2-hydroxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanamide
CID 106171896
1-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-3-ol
CID 115729125

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol?
The IUPAC name of 2-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol (CID 81343823) is 2-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol.
What is the SMILES notation for 2-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol?
The canonical SMILES for 2-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol is CC(CO)NC(C)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol?
The InChIKey is GOEVZFYADQDCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(10-18)16-12(2)13-8-15-17(9-13)14-6-4-3-5-7-14/h3-9,11-12,16,18H,10H2,1-2H3.
What are the key properties of 2-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol?
2-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol has a molecular weight of 245.33 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol is sourced from PubChem (CID 81343823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).