N-[(4-benzylmorpholin-2-yl)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C25H28N4O2 — CID 24640664

IUPACN-[(4-benzylmorpholin-2-yl)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NCC1CN(Cc2ccccc2)CCO1)c1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C25H28N4O2/c30-25(24-22-12-7-13-23(22)29(27-24)20-10-5-2-6-11-20)26-16-21-18-28(14-15-31-21)17-19-8-3-1-4-9-19/h1-6,8-11,21H,7,12-18H2,(H,26,30)
InChIKeyWQCUGOCNXYBKHR-UHFFFAOYSA-N
MW416.53 g/mol
LogP2.99
Rot. Bonds6

About N-[(4-benzylmorpholin-2-yl)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

N-[(4-benzylmorpholin-2-yl)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 24640664) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-[(4-benzylmorpholin-2-yl)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-benzylmorpholin-2-yl)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID24640664
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-[(4-benzylmorpholin-2-yl)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NCC1CN(Cc2ccccc2)CCO1)c1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C25H28N4O2/c30-25(24-22-12-7-13-23(22)29(27-24)20-10-5-2-6-11-20)26-16-21-18-28(14-15-31-21)17-19-8-3-1-4-9-19/h1-6,8-11,21H,7,12-18H2,(H,26,30)
InChIKeyWQCUGOCNXYBKHR-UHFFFAOYSA-N
XLogP2.99
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 43019906
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-benzyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17492126
N-[(4-benzylmorpholin-2-yl)methyl]-4-fluorobenzamide
CID 46522835
N-[2-[(4-benzylmorpholin-2-yl)methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 24640639
2-anilino-N-[(4-benzylmorpholin-2-yl)methyl]acetamide;dihydrochloride
CID 119829861
N-[(4-benzyl-1,4-oxazepan-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 131900860
N-[(4-benzylmorpholin-2-yl)methyl]-3,5-dimethoxybenzamide
CID 17480503
N-[(4-benzylmorpholin-2-yl)methyl]-2-chloroquinoline-6-carboxamide
CID 55731163
N-[(4-benzylmorpholin-2-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 42886737
N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-(methylcarbamoylamino)acetamide
CID 124623954
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30531255

Frequently Asked Questions

What is the IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 24640664) is N-[(4-benzylmorpholin-2-yl)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-benzylmorpholin-2-yl)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[(4-benzylmorpholin-2-yl)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is O=C(NCC1CN(Cc2ccccc2)CCO1)c1nn(-c2ccccc2)c2c1CCC2.
What is the InChIKey of N-[(4-benzylmorpholin-2-yl)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is WQCUGOCNXYBKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c30-25(24-22-12-7-13-23(22)29(27-24)20-10-5-2-6-11-20)26-16-21-18-28(14-15-31-21)17-19-8-3-1-4-9-19/h1-6,8-11,21H,7,12-18H2,(H,26,30).
What are the key properties of N-[(4-benzylmorpholin-2-yl)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
N-[(4-benzylmorpholin-2-yl)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzylmorpholin-2-yl)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 24640664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).