2-hydroxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanamide

C14H18N4O2 — CID 106171896

IUPAC2-hydroxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanamide
SMILESCC(NCC(O)C(N)=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H18N4O2/c1-10(16-8-13(19)14(15)20)11-7-17-18(9-11)12-5-3-2-4-6-12/h2-7,9-10,13,16,19H,8H2,1H3,(H2,15,20)
InChIKeyMGFFKZBQGNKFSG-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.37
Rot. Bonds6

About 2-hydroxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanamide

2-hydroxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanamide (PubChem CID 106171896) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-hydroxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanamide
PubChem CID106171896
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-hydroxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanamide
SMILESCC(NCC(O)C(N)=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H18N4O2/c1-10(16-8-13(19)14(15)20)11-7-17-18(9-11)12-5-3-2-4-6-12/h2-7,9-10,13,16,19H,8H2,1H3,(H2,15,20)
InChIKeyMGFFKZBQGNKFSG-UHFFFAOYSA-N
XLogP0.37
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(1-phenylpyrazol-4-yl)ethylamino]acetamide
CID 81470640
2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol
CID 81302041
1-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-3-ol
CID 115729125
methyl 3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanoate
CID 81471467
2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanesulfonamide
CID 81470721
1-(1-phenylpyrazol-4-yl)ethylhydrazine
CID 81470645
2,2-difluoro-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol
CID 104860544
2-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol
CID 81343823
N-(2-ethylsulfonylethyl)-1-(1-phenylpyrazol-4-yl)ethanamine
CID 103780937
2-(2-methoxyethylamino)-2-(1-phenylpyrazol-4-yl)acetamide
CID 62541695
2-(1-phenylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 60998789
2-hydroxy-3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]propanamide
CID 106171764

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanamide?
The IUPAC name of 2-hydroxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanamide (CID 106171896) is 2-hydroxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanamide?
The canonical SMILES for 2-hydroxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanamide is CC(NCC(O)C(N)=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-hydroxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanamide?
The InChIKey is MGFFKZBQGNKFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10(16-8-13(19)14(15)20)11-7-17-18(9-11)12-5-3-2-4-6-12/h2-7,9-10,13,16,19H,8H2,1H3,(H2,15,20).
What are the key properties of 2-hydroxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanamide?
2-hydroxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanamide has a molecular weight of 274.32 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanamide is sourced from PubChem (CID 106171896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).