4-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide

C26H32N4O4 — CID 55847917

IUPAC4-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NCCCCN2CCOCC2)cc1OC
InChIInChI=1S/C26H32N4O4/c1-32-23-11-10-20(18-24(23)33-2)22-19-30(21-8-4-3-5-9-21)28-25(22)26(31)27-12-6-7-13-29-14-16-34-17-15-29/h3-5,8-11,18-19H,6-7,12-17H2,1-2H3,(H,27,31)
InChIKeyDHLRQNZHTIBYKV-UHFFFAOYSA-N
MW464.57 g/mol
LogP3.40
Rot. Bonds10

About 4-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide

4-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide (PubChem CID 55847917) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide
PubChem CID55847917
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Name4-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NCCCCN2CCOCC2)cc1OC
InChIInChI=1S/C26H32N4O4/c1-32-23-11-10-20(18-24(23)33-2)22-19-30(21-8-4-3-5-9-21)28-25(22)26(31)27-12-6-7-13-29-14-16-34-17-15-29/h3-5,8-11,18-19H,6-7,12-17H2,1-2H3,(H,27,31)
InChIKeyDHLRQNZHTIBYKV-UHFFFAOYSA-N
XLogP3.40
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3,4-dimethoxyphenyl)-N-(2-methyl-2-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide
CID 46433840
4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid
CID 1478012
4-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 16594232
4-(3,4-dimethoxyphenyl)-1-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 16598960
4-(3,4-dimethoxyphenyl)-1-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 16613867
4-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-phenylpyrazole-3-carboxamide
CID 55499348
5-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
CID 15999607
4-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide
CID 24622479
N-(3-morpholin-4-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide;hydrochloride
CID 2827797
N-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 25398478
N-butyl-4-(3,4-dimethoxyphenyl)-N-methyl-1-phenylpyrazole-3-carboxamide
CID 18149038
4-(3,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)ethyl]-1-phenylpyrazole-3-carboxamide
CID 24594799

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide (CID 55847917) is 4-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide is COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NCCCCN2CCOCC2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide?
The InChIKey is DHLRQNZHTIBYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-32-23-11-10-20(18-24(23)33-2)22-19-30(21-8-4-3-5-9-21)28-25(22)26(31)27-12-6-7-13-29-14-16-34-17-15-29/h3-5,8-11,18-19H,6-7,12-17H2,1-2H3,(H,27,31).
What are the key properties of 4-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide?
4-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 3.40, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 55847917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).