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

C16H20N4O2 — CID 142418177

IUPAC5-N-ethyl-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
SMILESCCNC(=O)c1cc(C(=O)NC)nn1[C@@H](C)c1ccccc1
InChIInChI=1S/C16H20N4O2/c1-4-18-16(22)14-10-13(15(21)17-3)19-20(14)11(2)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,17,21)(H,18,22)/t11-/m0/s1
InChIKeyOOFLZZXKYMPLBU-NSHDSACASA-N
MW300.36 g/mol
LogP1.60
Rot. Bonds5

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

5-N-ethyl-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide (PubChem CID 142418177) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-N-ethyl-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-ethyl-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
PubChem CID142418177
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name5-N-ethyl-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
SMILESCCNC(=O)c1cc(C(=O)NC)nn1[C@@H](C)c1ccccc1
InChIInChI=1S/C16H20N4O2/c1-4-18-16(22)14-10-13(15(21)17-3)19-20(14)11(2)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,17,21)(H,18,22)/t11-/m0/s1
InChIKeyOOFLZZXKYMPLBU-NSHDSACASA-N
XLogP1.60
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide?
The IUPAC name of 5-N-ethyl-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide (CID 142418177) is 5-N-ethyl-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-ethyl-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-ethyl-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide is CCNC(=O)c1cc(C(=O)NC)nn1[C@@H](C)c1ccccc1.
What is the InChIKey of 5-N-ethyl-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide?
The InChIKey is OOFLZZXKYMPLBU-NSHDSACASA-N. The full InChI is InChI=1S/C16H20N4O2/c1-4-18-16(22)14-10-13(15(21)17-3)19-20(14)11(2)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,17,21)(H,18,22)/t11-/m0/s1.
What are the key properties of 5-N-ethyl-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide?
5-N-ethyl-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide is sourced from PubChem (CID 142418177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).