N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide

C24H26F2N4O2 — CID 51940559

IUPACN-[[(2S)-4-benzylmorpholin-2-yl]methyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C24H26F2N4O2/c1-16-23(17(2)30(28-16)22-9-8-19(25)12-21(22)26)24(31)27-13-20-15-29(10-11-32-20)14-18-6-4-3-5-7-18/h3-9,12,20H,10-11,13-15H2,1-2H3,(H,27,31)/t20-/m0/s1
InChIKeyZCSNMOYHAUBXRN-FQEVSTJZSA-N
MW440.49 g/mol
LogP3.40
Rot. Bonds6

About N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide

N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 51940559) has the molecular formula C24H26F2N4O2 and a molecular weight of 440.49 g/mol. Its IUPAC name is N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-4-benzylmorpholin-2-yl]methyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
PubChem CID51940559
Molecular FormulaC24H26F2N4O2
Molecular Weight440.49 g/mol
Exact Mass440.20
IUPAC NameN-[[(2S)-4-benzylmorpholin-2-yl]methyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C24H26F2N4O2/c1-16-23(17(2)30(28-16)22-9-8-19(25)12-21(22)26)24(31)27-13-20-15-29(10-11-32-20)14-18-6-4-3-5-7-18/h3-9,12,20H,10-11,13-15H2,1-2H3,(H,27,31)/t20-/m0/s1
InChIKeyZCSNMOYHAUBXRN-FQEVSTJZSA-N
XLogP3.40
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 52908736
N-[(4-benzylmorpholin-2-yl)methyl]-4-fluorobenzamide
CID 46522835
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-[(2-tert-butyloxan-3-yl)methyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 86972103
N-[(4-benzylmorpholin-2-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 42886737
N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 43019906
N-[2-[(2,6-difluorobenzoyl)amino]ethyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 86942729
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2-(2-fluorophenyl)acetamide
CID 39472038
1-(2,4-difluorophenyl)-3,5-dimethyl-N-[[(2S)-thiolan-2-yl]methyl]pyrazole-4-carboxamide
CID 96539273
N-[(4-benzylmorpholin-2-yl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 43021327
N-[(4-benzylmorpholin-2-yl)methyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 46522846
N-(3-benzylsulfonylpropyl)-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 55857915

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide (CID 51940559) is N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide is Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1.
What is the InChIKey of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is ZCSNMOYHAUBXRN-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H26F2N4O2/c1-16-23(17(2)30(28-16)22-9-8-19(25)12-21(22)26)24(31)27-13-20-15-29(10-11-32-20)14-18-6-4-3-5-7-18/h3-9,12,20H,10-11,13-15H2,1-2H3,(H,27,31)/t20-/m0/s1.
What are the key properties of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide?
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 440.49 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 51940559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).