N-butyl-4-(3,4-dimethoxyphenyl)-N-methyl-1-phenylpyrazole-3-carboxamide

C23H27N3O3 — CID 18149038

IUPACN-butyl-4-(3,4-dimethoxyphenyl)-N-methyl-1-phenylpyrazole-3-carboxamide
SMILESCCCCN(C)C(=O)c1nn(-c2ccccc2)cc1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C23H27N3O3/c1-5-6-14-25(2)23(27)22-19(16-26(24-22)18-10-8-7-9-11-18)17-12-13-20(28-3)21(15-17)29-4/h7-13,15-16H,5-6,14H2,1-4H3
InChIKeyBPPXGOBVSCIJLD-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.43
Rot. Bonds8

About N-butyl-4-(3,4-dimethoxyphenyl)-N-methyl-1-phenylpyrazole-3-carboxamide

N-butyl-4-(3,4-dimethoxyphenyl)-N-methyl-1-phenylpyrazole-3-carboxamide (PubChem CID 18149038) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-butyl-4-(3,4-dimethoxyphenyl)-N-methyl-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-butyl-4-(3,4-dimethoxyphenyl)-N-methyl-1-phenylpyrazole-3-carboxamide
PubChem CID18149038
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-butyl-4-(3,4-dimethoxyphenyl)-N-methyl-1-phenylpyrazole-3-carboxamide
SMILESCCCCN(C)C(=O)c1nn(-c2ccccc2)cc1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C23H27N3O3/c1-5-6-14-25(2)23(27)22-19(16-26(24-22)18-10-8-7-9-11-18)17-12-13-20(28-3)21(15-17)29-4/h7-13,15-16H,5-6,14H2,1-4H3
InChIKeyBPPXGOBVSCIJLD-UHFFFAOYSA-N
XLogP4.43
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-3-carboxamide
CID 24595323
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
N-butyl-3-(4-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide
CID 18109631
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
4-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide
CID 55847917
4-(3,4-dimethoxyphenyl)-1-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 16598960
[4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 16594388
4-(3,4-dimethoxyphenyl)-N-(2-methyl-2-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide
CID 46433840
3-(3,4-dimethoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide
CID 55488628
4-(3,4-dimethoxyphenyl)-1-phenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrazole-3-carboxamide
CID 46441310

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(3,4-dimethoxyphenyl)-N-methyl-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-butyl-4-(3,4-dimethoxyphenyl)-N-methyl-1-phenylpyrazole-3-carboxamide (CID 18149038) is N-butyl-4-(3,4-dimethoxyphenyl)-N-methyl-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-butyl-4-(3,4-dimethoxyphenyl)-N-methyl-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-butyl-4-(3,4-dimethoxyphenyl)-N-methyl-1-phenylpyrazole-3-carboxamide is CCCCN(C)C(=O)c1nn(-c2ccccc2)cc1-c1ccc(OC)c(OC)c1.
What is the InChIKey of N-butyl-4-(3,4-dimethoxyphenyl)-N-methyl-1-phenylpyrazole-3-carboxamide?
The InChIKey is BPPXGOBVSCIJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-5-6-14-25(2)23(27)22-19(16-26(24-22)18-10-8-7-9-11-18)17-12-13-20(28-3)21(15-17)29-4/h7-13,15-16H,5-6,14H2,1-4H3.
What are the key properties of N-butyl-4-(3,4-dimethoxyphenyl)-N-methyl-1-phenylpyrazole-3-carboxamide?
N-butyl-4-(3,4-dimethoxyphenyl)-N-methyl-1-phenylpyrazole-3-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(3,4-dimethoxyphenyl)-N-methyl-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 18149038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).