1-(2-methoxyphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylpyrazole-4-carboxamide

C25H30N4O3 — CID 162658712

IUPAC1-(2-methoxyphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylpyrazole-4-carboxamide
SMILESCOc1ccccc1-n1cc(C(=O)NCC(C)(C)N2CCOCC2)c(-c2ccccc2)n1
InChIInChI=1S/C25H30N4O3/c1-25(2,28-13-15-32-16-14-28)18-26-24(30)20-17-29(21-11-7-8-12-22(21)31-3)27-23(20)19-9-5-4-6-10-19/h4-12,17H,13-16,18H2,1-3H3,(H,26,30)
InChIKeyYNJUFCYERXBKPA-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.39
Rot. Bonds7

About 1-(2-methoxyphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylpyrazole-4-carboxamide

1-(2-methoxyphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylpyrazole-4-carboxamide (PubChem CID 162658712) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylpyrazole-4-carboxamide
PubChem CID162658712
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name1-(2-methoxyphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylpyrazole-4-carboxamide
SMILESCOc1ccccc1-n1cc(C(=O)NCC(C)(C)N2CCOCC2)c(-c2ccccc2)n1
InChIInChI=1S/C25H30N4O3/c1-25(2,28-13-15-32-16-14-28)18-26-24(30)20-17-29(21-11-7-8-12-22(21)31-3)27-23(20)19-9-5-4-6-10-19/h4-12,17H,13-16,18H2,1-3H3,(H,26,30)
InChIKeyYNJUFCYERXBKPA-UHFFFAOYSA-N
XLogP3.39
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethoxy-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 51173152
2,5-dimethoxy-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 51175190
3-(2,4-dimethoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-1-phenylpyrazole-4-carboxamide
CID 34766943
1-hydroxy-N-(2-methyl-2-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 47011963
N-(2-methyl-2-morpholin-4-ylpropyl)quinoline-8-carboxamide
CID 17459698
4-amino-5-chloro-2-methoxy-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 119830234
3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-4-carboxamide
CID 29206299
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(thiophene-2-carbonyl)benzamide
CID 46635222
4-(3,4-dimethoxyphenyl)-N-(2-methyl-2-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide
CID 46433840
N-(3-morpholin-4-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide;hydrochloride
CID 2827797
N-(2-methyl-2-morpholin-4-ylpropyl)-2-oxo-1H-quinoline-4-carboxamide
CID 2450820
N-(2-morpholin-4-ylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 17482398

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylpyrazole-4-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylpyrazole-4-carboxamide (CID 162658712) is 1-(2-methoxyphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylpyrazole-4-carboxamide is COc1ccccc1-n1cc(C(=O)NCC(C)(C)N2CCOCC2)c(-c2ccccc2)n1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylpyrazole-4-carboxamide?
The InChIKey is YNJUFCYERXBKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-25(2,28-13-15-32-16-14-28)18-26-24(30)20-17-29(21-11-7-8-12-22(21)31-3)27-23(20)19-9-5-4-6-10-19/h4-12,17H,13-16,18H2,1-3H3,(H,26,30).
What are the key properties of 1-(2-methoxyphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylpyrazole-4-carboxamide?
1-(2-methoxyphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylpyrazole-4-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 162658712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).