N-benzyl-1-(3-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4-carboxamide

C24H27ClN4O2 — CID 56500434

IUPACN-benzyl-1-(3-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4-carboxamide
SMILESCC(CN1CCOCC1)N(Cc1ccccc1)C(=O)c1cnn(-c2cccc(Cl)c2)c1
InChIInChI=1S/C24H27ClN4O2/c1-19(16-27-10-12-31-13-11-27)28(17-20-6-3-2-4-7-20)24(30)21-15-26-29(18-21)23-9-5-8-22(25)14-23/h2-9,14-15,18-19H,10-13,16-17H2,1H3
InChIKeyLOGAKBAJEPPJHX-UHFFFAOYSA-N
MW438.96 g/mol
LogP3.89
Rot. Bonds7

About N-benzyl-1-(3-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4-carboxamide

N-benzyl-1-(3-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4-carboxamide (PubChem CID 56500434) has the molecular formula C24H27ClN4O2 and a molecular weight of 438.96 g/mol. Its IUPAC name is N-benzyl-1-(3-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(3-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4-carboxamide
PubChem CID56500434
Molecular FormulaC24H27ClN4O2
Molecular Weight438.96 g/mol
Exact Mass438.18
IUPAC NameN-benzyl-1-(3-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4-carboxamide
SMILESCC(CN1CCOCC1)N(Cc1ccccc1)C(=O)c1cnn(-c2cccc(Cl)c2)c1
InChIInChI=1S/C24H27ClN4O2/c1-19(16-27-10-12-31-13-11-27)28(17-20-6-3-2-4-7-20)24(30)21-15-26-29(18-21)23-9-5-8-22(25)14-23/h2-9,14-15,18-19H,10-13,16-17H2,1H3
InChIKeyLOGAKBAJEPPJHX-UHFFFAOYSA-N
XLogP3.89
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 53.89
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-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-6-propan-2-yloxypyridine-3-carboxamide
CID 56501228
N-benzyl-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1-phenylpyrazole-3-carboxamide
CID 56500963
N-benzyl-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-1H-indole-2-carboxamide
CID 56500994
N-benzyl-4-(methylsulfamoyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56501661
N-benzyl-4-(methylsulfonylmethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56500850
N-benzyl-1-(3-chlorophenyl)-N-(furan-2-ylmethyl)pyrazole-4-carboxamide
CID 55874837
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 56500710
2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-(oxan-4-yl)amino]acetic acid
CID 122146306
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-phenoxypropanamide
CID 56500998
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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(3-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4-carboxamide?
The IUPAC name of N-benzyl-1-(3-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4-carboxamide (CID 56500434) is N-benzyl-1-(3-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(3-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-1-(3-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4-carboxamide is CC(CN1CCOCC1)N(Cc1ccccc1)C(=O)c1cnn(-c2cccc(Cl)c2)c1.
What is the InChIKey of N-benzyl-1-(3-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4-carboxamide?
The InChIKey is LOGAKBAJEPPJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2/c1-19(16-27-10-12-31-13-11-27)28(17-20-6-3-2-4-7-20)24(30)21-15-26-29(18-21)23-9-5-8-22(25)14-23/h2-9,14-15,18-19H,10-13,16-17H2,1H3.
What are the key properties of N-benzyl-1-(3-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4-carboxamide?
N-benzyl-1-(3-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4-carboxamide has a molecular weight of 438.96 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(3-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 56500434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).