N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

C29H31N5O2 — CID 55637223

IUPACN-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCC1CN(Cc2ccc(CNC(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)cc2)CC(C)O1
InChIInChI=1S/C29H31N5O2/c1-21-17-33(18-22(2)36-21)19-24-12-10-23(11-13-24)15-31-29(35)27-20-34(26-8-4-3-5-9-26)32-28(27)25-7-6-14-30-16-25/h3-14,16,20-22H,15,17-19H2,1-2H3,(H,31,35)
InChIKeyCXRRIJLQGBRAKA-UHFFFAOYSA-N
MW481.60 g/mol
LogP4.47
Rot. Bonds7

About N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 55637223) has the molecular formula C29H31N5O2 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID55637223
Molecular FormulaC29H31N5O2
Molecular Weight481.60 g/mol
Exact Mass481.25
IUPAC NameN-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCC1CN(Cc2ccc(CNC(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)cc2)CC(C)O1
InChIInChI=1S/C29H31N5O2/c1-21-17-33(18-22(2)36-21)19-24-12-10-23(11-13-24)15-31-29(35)27-20-34(26-8-4-3-5-9-26)32-28(27)25-7-6-14-30-16-25/h3-14,16,20-22H,15,17-19H2,1-2H3,(H,31,35)
InChIKeyCXRRIJLQGBRAKA-UHFFFAOYSA-N
XLogP4.47
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide with MolForge

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Related Compounds

methyl 4-[[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]methyl]benzoate
CID 2381703
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 17431965
N-[(5-chlorothiophen-2-yl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 32829207
N-[(2-fluorophenyl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 8871062
1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-pyridin-3-ylpyrazole-4-carboxamide
CID 55969423
N-[2-(dimethylamino)-2-oxoethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9480578
N-(3-methoxypropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 27556068
N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9300157
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 120946153
N-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 24612015
N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1340356
(2-methylmorpholin-4-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 24575607

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (CID 55637223) is N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is CC1CN(Cc2ccc(CNC(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)cc2)CC(C)O1.
What is the InChIKey of N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is CXRRIJLQGBRAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O2/c1-21-17-33(18-22(2)36-21)19-24-12-10-23(11-13-24)15-31-29(35)27-20-34(26-8-4-3-5-9-26)32-28(27)25-7-6-14-30-16-25/h3-14,16,20-22H,15,17-19H2,1-2H3,(H,31,35).
What are the key properties of N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55637223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).