4-(3,4-dimethoxyphenyl)-N-(2-methyl-2-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide

C27H34N4O4 — CID 46433840

IUPAC4-(3,4-dimethoxyphenyl)-N-(2-methyl-2-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide
SMILESCCC(C)(CNC(=O)c1nn(-c2ccccc2)cc1-c1ccc(OC)c(OC)c1)N1CCOCC1
InChIInChI=1S/C27H34N4O4/c1-5-27(2,30-13-15-35-16-14-30)19-28-26(32)25-22(18-31(29-25)21-9-7-6-8-10-21)20-11-12-23(33-3)24(17-20)34-4/h6-12,17-18H,5,13-16,19H2,1-4H3,(H,28,32)
InChIKeyQSQULHCLZIYLQF-UHFFFAOYSA-N
MW478.59 g/mol
LogP3.79
Rot. Bonds9

About 4-(3,4-dimethoxyphenyl)-N-(2-methyl-2-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide

4-(3,4-dimethoxyphenyl)-N-(2-methyl-2-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide (PubChem CID 46433840) has the molecular formula C27H34N4O4 and a molecular weight of 478.59 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N-(2-methyl-2-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N-(2-methyl-2-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide
PubChem CID46433840
Molecular FormulaC27H34N4O4
Molecular Weight478.59 g/mol
Exact Mass478.26
IUPAC Name4-(3,4-dimethoxyphenyl)-N-(2-methyl-2-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide
SMILESCCC(C)(CNC(=O)c1nn(-c2ccccc2)cc1-c1ccc(OC)c(OC)c1)N1CCOCC1
InChIInChI=1S/C27H34N4O4/c1-5-27(2,30-13-15-35-16-14-30)19-28-26(32)25-22(18-31(29-25)21-9-7-6-8-10-21)20-11-12-23(33-3)24(17-20)34-4/h6-12,17-18H,5,13-16,19H2,1-4H3,(H,28,32)
InChIKeyQSQULHCLZIYLQF-UHFFFAOYSA-N
XLogP3.79
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide
CID 55847917
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
N-[4-(tert-butylcarbamoyl)phenyl]-4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 38257122
4-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-phenylpyrazole-3-carboxamide
CID 55499348
N-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 25398478
4-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide
CID 24622479
N-butyl-4-(3,4-dimethoxyphenyl)-N-methyl-1-phenylpyrazole-3-carboxamide
CID 18149038
4-(3,4-dimethoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpyrazole-3-carboxamide
CID 55495112
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylate
CID 46519216

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-N-(2-methyl-2-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N-(2-methyl-2-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide (CID 46433840) is 4-(3,4-dimethoxyphenyl)-N-(2-methyl-2-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N-(2-methyl-2-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N-(2-methyl-2-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide is CCC(C)(CNC(=O)c1nn(-c2ccccc2)cc1-c1ccc(OC)c(OC)c1)N1CCOCC1.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N-(2-methyl-2-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide?
The InChIKey is QSQULHCLZIYLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O4/c1-5-27(2,30-13-15-35-16-14-30)19-28-26(32)25-22(18-31(29-25)21-9-7-6-8-10-21)20-11-12-23(33-3)24(17-20)34-4/h6-12,17-18H,5,13-16,19H2,1-4H3,(H,28,32).
What are the key properties of 4-(3,4-dimethoxyphenyl)-N-(2-methyl-2-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide?
4-(3,4-dimethoxyphenyl)-N-(2-methyl-2-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide has a molecular weight of 478.59 g/mol, XLogP of 3.79, 9 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-(2-methyl-2-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 46433840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).