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

C17H20N4O2 — CID 153297976

IUPAC5-N-cyclopropyl-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CC2)n([C@@H](C)c2ccccc2)n1
InChIInChI=1S/C17H20N4O2/c1-11(12-6-4-3-5-7-12)21-15(17(23)19-13-8-9-13)10-14(20-21)16(22)18-2/h3-7,10-11,13H,8-9H2,1-2H3,(H,18,22)(H,19,23)/t11-/m0/s1
InChIKeyPHJSXIWAUQLTFK-NSHDSACASA-N
MW312.37 g/mol
LogP1.74
Rot. Bonds5

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

5-N-cyclopropyl-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide (PubChem CID 153297976) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 5-N-cyclopropyl-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-cyclopropyl-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
PubChem CID153297976
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name5-N-cyclopropyl-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CC2)n([C@@H](C)c2ccccc2)n1
InChIInChI=1S/C17H20N4O2/c1-11(12-6-4-3-5-7-12)21-15(17(23)19-13-8-9-13)10-14(20-21)16(22)18-2/h3-7,10-11,13H,8-9H2,1-2H3,(H,18,22)(H,19,23)/t11-/m0/s1
InChIKeyPHJSXIWAUQLTFK-NSHDSACASA-N
XLogP1.74
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-N-cyclopropyl-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide with MolForge

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Related Compounds

N-((1S)-1-(Aminocarbonyl)-2-methylpropyl)-1-((4-fluorophenyl)methyl)-1H-indazole-3-carboxamide
CID 58124325
Adb-butinaca
CID 155907792
AB-Chminaca
CID 44206133
AB-Pinaca
CID 71301472
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
CID 86567422
5-Fluoro-AB-pinaca, (A+-)-
CID 102144602
App-butinaca
CID 154735174
N-(1-Amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
CID 86280478
Adb-chminaca
CID 68894304
5-Fluoro-AB-PINACA
CID 91936927
N-(1-(Aminocarbonyl)-2-methylpropyl)-1-(cyclohexylmethyl)-1H-indazole-3-carboxamide
CID 70969900
N-(1-Amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(pent-4-en-1-yl)-1H-indazole-3-carboxamide
CID 162705324

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopropyl-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide?
The IUPAC name of 5-N-cyclopropyl-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide (CID 153297976) is 5-N-cyclopropyl-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-cyclopropyl-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-cyclopropyl-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)NC2CC2)n([C@@H](C)c2ccccc2)n1.
What is the InChIKey of 5-N-cyclopropyl-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide?
The InChIKey is PHJSXIWAUQLTFK-NSHDSACASA-N. The full InChI is InChI=1S/C17H20N4O2/c1-11(12-6-4-3-5-7-12)21-15(17(23)19-13-8-9-13)10-14(20-21)16(22)18-2/h3-7,10-11,13H,8-9H2,1-2H3,(H,18,22)(H,19,23)/t11-/m0/s1.
What are the key properties of 5-N-cyclopropyl-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide?
5-N-cyclopropyl-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopropyl-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide is sourced from PubChem (CID 153297976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).