5-N-(2-hydroxyethyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide

C16H20N4O3 — CID 142418230

IUPAC5-N-(2-hydroxyethyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NCCO)n([C@@H](C)c2ccccc2)n1
InChIInChI=1S/C16H20N4O3/c1-11(12-6-4-3-5-7-12)20-14(16(23)18-8-9-21)10-13(19-20)15(22)17-2/h3-7,10-11,21H,8-9H2,1-2H3,(H,17,22)(H,18,23)/t11-/m0/s1
InChIKeyQOYCUEVJGHUYAG-NSHDSACASA-N
MW316.36 g/mol
LogP0.57
Rot. Bonds6

About 5-N-(2-hydroxyethyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide

5-N-(2-hydroxyethyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide (PubChem CID 142418230) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-N-(2-hydroxyethyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2-hydroxyethyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
PubChem CID142418230
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name5-N-(2-hydroxyethyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NCCO)n([C@@H](C)c2ccccc2)n1
InChIInChI=1S/C16H20N4O3/c1-11(12-6-4-3-5-7-12)20-14(16(23)18-8-9-21)10-13(19-20)15(22)17-2/h3-7,10-11,21H,8-9H2,1-2H3,(H,17,22)(H,18,23)/t11-/m0/s1
InChIKeyQOYCUEVJGHUYAG-NSHDSACASA-N
XLogP0.57
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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Dipeptidyl nitrile inhibitor, 26
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CID 135319024
3N-methyl-5N-(4-oxidanylcyclohexyl)-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
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Ab-chfupyca
CID 122213879
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CID 162705326

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-hydroxyethyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide?
The IUPAC name of 5-N-(2-hydroxyethyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide (CID 142418230) is 5-N-(2-hydroxyethyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(2-hydroxyethyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-(2-hydroxyethyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)NCCO)n([C@@H](C)c2ccccc2)n1.
What is the InChIKey of 5-N-(2-hydroxyethyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide?
The InChIKey is QOYCUEVJGHUYAG-NSHDSACASA-N. The full InChI is InChI=1S/C16H20N4O3/c1-11(12-6-4-3-5-7-12)20-14(16(23)18-8-9-21)10-13(19-20)15(22)17-2/h3-7,10-11,21H,8-9H2,1-2H3,(H,17,22)(H,18,23)/t11-/m0/s1.
What are the key properties of 5-N-(2-hydroxyethyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide?
5-N-(2-hydroxyethyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide has a molecular weight of 316.36 g/mol, XLogP of 0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-hydroxyethyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide is sourced from PubChem (CID 142418230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).