4-amino-1-ethyl-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrazole-3-carboxamide

C15H20N4O2 — CID 107860614

IUPAC4-amino-1-ethyl-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)N[C@@H](CO)Cc2ccccc2)n1
InChIInChI=1S/C15H20N4O2/c1-2-19-9-13(16)14(18-19)15(21)17-12(10-20)8-11-6-4-3-5-7-11/h3-7,9,12,20H,2,8,10,16H2,1H3,(H,17,21)/t12-/m1/s1
InChIKeyZQNHNEXTWNWEJF-GFCCVEGCSA-N
MW288.35 g/mol
LogP0.82
Rot. Bonds6

About 4-amino-1-ethyl-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrazole-3-carboxamide

4-amino-1-ethyl-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrazole-3-carboxamide (PubChem CID 107860614) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrazole-3-carboxamide
PubChem CID107860614
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-amino-1-ethyl-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)N[C@@H](CO)Cc2ccccc2)n1
InChIInChI=1S/C15H20N4O2/c1-2-19-9-13(16)14(18-19)15(21)17-12(10-20)8-11-6-4-3-5-7-11/h3-7,9,12,20H,2,8,10,16H2,1H3,(H,17,21)/t12-/m1/s1
InChIKeyZQNHNEXTWNWEJF-GFCCVEGCSA-N
XLogP0.82
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrrole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrazole-3-carboxamide (CID 107860614) is 4-amino-1-ethyl-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrazole-3-carboxamide is CCn1cc(N)c(C(=O)N[C@@H](CO)Cc2ccccc2)n1.
What is the InChIKey of 4-amino-1-ethyl-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrazole-3-carboxamide?
The InChIKey is ZQNHNEXTWNWEJF-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-19-9-13(16)14(18-19)15(21)17-12(10-20)8-11-6-4-3-5-7-11/h3-7,9,12,20H,2,8,10,16H2,1H3,(H,17,21)/t12-/m1/s1.
What are the key properties of 4-amino-1-ethyl-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrazole-3-carboxamide?
4-amino-1-ethyl-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrazole-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 107860614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).