5-amino-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxamide

C12H14N4O2 — CID 121003446

IUPAC5-amino-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(CC(O)c2ccccc2)c1N
InChIInChI=1S/C12H14N4O2/c13-11-9(12(14)18)6-15-16(11)7-10(17)8-4-2-1-3-5-8/h1-6,10,17H,7,13H2,(H2,14,18)
InChIKeyHXYQJRLOQGYIJI-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.30
Rot. Bonds4

About 5-amino-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxamide

5-amino-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxamide (PubChem CID 121003446) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-amino-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxamide
PubChem CID121003446
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name5-amino-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(CC(O)c2ccccc2)c1N
InChIInChI=1S/C12H14N4O2/c13-11-9(12(14)18)6-15-16(11)7-10(17)8-4-2-1-3-5-8/h1-6,10,17H,7,13H2,(H2,14,18)
InChIKeyHXYQJRLOQGYIJI-UHFFFAOYSA-N
XLogP0.30
TPSA107.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate
CID 16747855
Ethyl 1-(2-hydroxy-2-phenylethyl)-5-(propan-2-ylcarbamoylamino)pyrazole-4-carboxylate
CID 16748483
Ethyl 1-(2-hydroxy-2-phenylethyl)-5-[(4-methylpiperazine-1-carbonyl)amino]pyrazole-4-carboxylate
CID 16747857
1-[2-(2-Hydroxy-2-phenylethyl)pyrazol-3-yl]-3-propan-2-ylurea
CID 16747859
Ethyl 5-(2-ethoxyethylcarbamoylamino)-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate
CID 16749230
Ethyl 1-(2-hydroxy-2-phenylethyl)-5-(2-phenylethylcarbamoylamino)pyrazole-4-carboxylate
CID 16749339
Ethyl 1-(2-hydroxy-2-phenylethyl)-5-(morpholine-4-carbonylamino)pyrazole-4-carboxylate
CID 16749342
1-(2-Hydroxy-2-phenylethyl)-5-(propan-2-ylcarbamoylamino)pyrazole-4-carboxylic acid
CID 16749343
Ethyl 5-(cyclopropylcarbamoylamino)-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate
CID 16747854
Ethyl 1-(2-hydroxy-2-phenylethyl)-5-(pyrrolidine-1-carbonylamino)pyrazole-4-carboxylate
CID 16747856
Ethyl 1-(2-hydroxy-2-phenylethyl)-5-(piperidine-1-carbonylamino)pyrazole-4-carboxylate
CID 16749340
5-amino-N-(2-hydroxy-2-phenylethyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 60157872

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxamide (CID 121003446) is 5-amino-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxamide is NC(=O)c1cnn(CC(O)c2ccccc2)c1N.
What is the InChIKey of 5-amino-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxamide?
The InChIKey is HXYQJRLOQGYIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c13-11-9(12(14)18)6-15-16(11)7-10(17)8-4-2-1-3-5-8/h1-6,10,17H,7,13H2,(H2,14,18).
What are the key properties of 5-amino-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxamide?
5-amino-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 121003446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).