3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-5-carboxamide

C23H26N4O3 — CID 4588029

IUPAC3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCCN3CCOCC3)n(-c3ccccc3)n2)c1
InChIInChI=1S/C23H26N4O3/c1-29-20-9-5-6-18(16-20)21-17-22(27(25-21)19-7-3-2-4-8-19)23(28)24-10-11-26-12-14-30-15-13-26/h2-9,16-17H,10-15H2,1H3,(H,24,28)
InChIKeyDTZHLZKRNLYNAR-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.61
Rot. Bonds7

About 3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-5-carboxamide

3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-5-carboxamide (PubChem CID 4588029) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-5-carboxamide
PubChem CID4588029
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCCN3CCOCC3)n(-c3ccccc3)n2)c1
InChIInChI=1S/C23H26N4O3/c1-29-20-9-5-6-18(16-20)21-17-22(27(25-21)19-7-3-2-4-8-19)23(28)24-10-11-26-12-14-30-15-13-26/h2-9,16-17H,10-15H2,1H3,(H,24,28)
InChIKeyDTZHLZKRNLYNAR-UHFFFAOYSA-N
XLogP2.61
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
CID 3958388
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 4318114
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 42755464
1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 4984524
1-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
CID 42755351
1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 4542622
1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
CID 4010545
1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 42755549
3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-4-carboxamide
CID 29206299
5-(3-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 7347913
N-(2-methoxyethyl)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 3359659
3-(furan-2-yl)-1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
CID 3293826

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-5-carboxamide (CID 4588029) is 3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)NCCN3CCOCC3)n(-c3ccccc3)n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-5-carboxamide?
The InChIKey is DTZHLZKRNLYNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-29-20-9-5-6-18(16-20)21-17-22(27(25-21)19-7-3-2-4-8-19)23(28)24-10-11-26-12-14-30-15-13-26/h2-9,16-17H,10-15H2,1H3,(H,24,28).
What are the key properties of 3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-5-carboxamide?
3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-5-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 4588029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).