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

C15H18N4O2 — CID 135318894

IUPAC3-N,5-N-dimethyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC)n([C@@H](C)c2ccccc2)n1
InChIInChI=1S/C15H18N4O2/c1-10(11-7-5-4-6-8-11)19-13(15(21)17-3)9-12(18-19)14(20)16-2/h4-10H,1-3H3,(H,16,20)(H,17,21)/t10-/m0/s1
InChIKeyAQSAECBYDJNVQV-JTQLQIEISA-N
MW286.34 g/mol
LogP1.21
Rot. Bonds4

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

3-N,5-N-dimethyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide (PubChem CID 135318894) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-N,5-N-dimethyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N,5-N-dimethyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
PubChem CID135318894
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name3-N,5-N-dimethyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC)n([C@@H](C)c2ccccc2)n1
InChIInChI=1S/C15H18N4O2/c1-10(11-7-5-4-6-8-11)19-13(15(21)17-3)9-12(18-19)14(20)16-2/h4-10H,1-3H3,(H,16,20)(H,17,21)/t10-/m0/s1
InChIKeyAQSAECBYDJNVQV-JTQLQIEISA-N
XLogP1.21
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-dimethyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide?
The IUPAC name of 3-N,5-N-dimethyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide (CID 135318894) is 3-N,5-N-dimethyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide.
What is the SMILES notation for 3-N,5-N-dimethyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide?
The canonical SMILES for 3-N,5-N-dimethyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)NC)n([C@@H](C)c2ccccc2)n1.
What is the InChIKey of 3-N,5-N-dimethyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide?
The InChIKey is AQSAECBYDJNVQV-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10(11-7-5-4-6-8-11)19-13(15(21)17-3)9-12(18-19)14(20)16-2/h4-10H,1-3H3,(H,16,20)(H,17,21)/t10-/m0/s1.
What are the key properties of 3-N,5-N-dimethyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide?
3-N,5-N-dimethyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-dimethyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide is sourced from PubChem (CID 135318894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).