5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1-phenylpyrazole-4-carboxamide

C21H22N4O2 — CID 73442096

IUPAC5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cnn1-c1ccccc1
InChIInChI=1S/C21H22N4O2/c1-15-19(13-23-25(15)18-5-3-2-4-6-18)21(26)24-17-9-7-16(8-10-17)20-14-22-11-12-27-20/h2-10,13,20,22H,11-12,14H2,1H3,(H,24,26)/t20-/m1/s1
InChIKeyZUFVUECVTUDEMG-HXUWFJFHSA-N
MW362.43 g/mol
LogP3.09
Rot. Bonds4

About 5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1-phenylpyrazole-4-carboxamide

5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 73442096) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1-phenylpyrazole-4-carboxamide
PubChem CID73442096
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cnn1-c1ccccc1
InChIInChI=1S/C21H22N4O2/c1-15-19(13-23-25(15)18-5-3-2-4-6-18)21(26)24-17-9-7-16(8-10-17)20-14-22-11-12-27-20/h2-10,13,20,22H,11-12,14H2,1H3,(H,24,26)/t20-/m1/s1
InChIKeyZUFVUECVTUDEMG-HXUWFJFHSA-N
XLogP3.09
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpyrazole-4-carboxamide
CID 25664616
1-[4-(difluoromethoxy)phenyl]-N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 71086787
1-[4-(difluoromethoxy)phenyl]-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 71086930
1-[4-(difluoromethoxy)phenyl]-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 71087333
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 71087429
N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 71112658
5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide
CID 73425668
5-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide
CID 73425670
N-[4-[(2R)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide
CID 73425671
2-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide
CID 73425774
N-[4-[(2S)-morpholin-2-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 73425775
2-(3-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide
CID 73425776

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1-phenylpyrazole-4-carboxamide (CID 73442096) is 5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1-phenylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cnn1-c1ccccc1.
What is the InChIKey of 5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is ZUFVUECVTUDEMG-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-19(13-23-25(15)18-5-3-2-4-6-18)21(26)24-17-9-7-16(8-10-17)20-14-22-11-12-27-20/h2-10,13,20,22H,11-12,14H2,1H3,(H,24,26)/t20-/m1/s1.
What are the key properties of 5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1-phenylpyrazole-4-carboxamide?
5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 73442096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).