N-benzyl-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1-phenylpyrazole-3-carboxamide

C25H30N4O2 — CID 56500963

IUPACN-benzyl-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccccc2)C(C)CN2CCOCC2)nn1-c1ccccc1
InChIInChI=1S/C25H30N4O2/c1-20-17-24(26-29(20)23-11-7-4-8-12-23)25(30)28(19-22-9-5-3-6-10-22)21(2)18-27-13-15-31-16-14-27/h3-12,17,21H,13-16,18-19H2,1-2H3
InChIKeyGHALGNUGLWTRBF-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.54
Rot. Bonds7

About N-benzyl-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1-phenylpyrazole-3-carboxamide

N-benzyl-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1-phenylpyrazole-3-carboxamide (PubChem CID 56500963) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-benzyl-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1-phenylpyrazole-3-carboxamide
PubChem CID56500963
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-benzyl-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccccc2)C(C)CN2CCOCC2)nn1-c1ccccc1
InChIInChI=1S/C25H30N4O2/c1-20-17-24(26-29(20)23-11-7-4-8-12-23)25(30)28(19-22-9-5-3-6-10-22)21(2)18-27-13-15-31-16-14-27/h3-12,17,21H,13-16,18-19H2,1-2H3
InChIKeyGHALGNUGLWTRBF-UHFFFAOYSA-N
XLogP3.54
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-chloro-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56501396
N-benzyl-1-(3-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4-carboxamide
CID 56500434
N-benzyl-4-(methylsulfamoyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56501661
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 56501664
N-benzyl-4-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)butanamide
CID 119877069
N-benzyl-4-(methylsulfonylmethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56500850
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 56501654
2-amino-N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
CID 119877071
N-benzyl-2-bromo-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56500983
N-benzyl-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-morpholin-4-ylpropan-2-yl)propanamide
CID 56500316
N-benzyl-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-6-propan-2-yloxypyridine-3-carboxamide
CID 56501228
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-phenoxypropanamide
CID 56500998

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-benzyl-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1-phenylpyrazole-3-carboxamide (CID 56500963) is N-benzyl-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-benzyl-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-benzyl-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)N(Cc2ccccc2)C(C)CN2CCOCC2)nn1-c1ccccc1.
What is the InChIKey of N-benzyl-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1-phenylpyrazole-3-carboxamide?
The InChIKey is GHALGNUGLWTRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-20-17-24(26-29(20)23-11-7-4-8-12-23)25(30)28(19-22-9-5-3-6-10-22)21(2)18-27-13-15-31-16-14-27/h3-12,17,21H,13-16,18-19H2,1-2H3.
What are the key properties of N-benzyl-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1-phenylpyrazole-3-carboxamide?
N-benzyl-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1-phenylpyrazole-3-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 56500963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).