N-tert-butyl-3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazole-5-carboxamide

C24H29N3O3 — CID 4303586

IUPACN-tert-butyl-3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC(C)(C)C)n(-c3ccc(C)cc3C)n2)c(OC)c1
InChIInChI=1S/C24H29N3O3/c1-15-8-11-20(16(2)12-15)27-21(23(28)25-24(3,4)5)14-19(26-27)18-10-9-17(29-6)13-22(18)30-7/h8-14H,1-7H3,(H,25,28)
InChIKeyNVLVVPGPAHBUSC-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.70
Rot. Bonds5

About N-tert-butyl-3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazole-5-carboxamide

N-tert-butyl-3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazole-5-carboxamide (PubChem CID 4303586) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-tert-butyl-3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazole-5-carboxamide
PubChem CID4303586
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-tert-butyl-3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC(C)(C)C)n(-c3ccc(C)cc3C)n2)c(OC)c1
InChIInChI=1S/C24H29N3O3/c1-15-8-11-20(16(2)12-15)27-21(23(28)25-24(3,4)5)14-19(26-27)18-10-9-17(29-6)13-22(18)30-7/h8-14H,1-7H3,(H,25,28)
InChIKeyNVLVVPGPAHBUSC-UHFFFAOYSA-N
XLogP4.70
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-ethoxypyrazole-5-carboxamide
CID 4694065
N-cyclopropyl-3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazole-5-carboxamide
CID 42759053
[3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazol-5-yl]-piperidin-1-ylmethanone
CID 42759046
3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
CID 3565112
[3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 42759058
3,4-dihydro-1H-isoquinolin-2-yl-[3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazol-5-yl]methanone
CID 5254172
ethyl 1-[3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazole-5-carbonyl]piperidine-4-carboxylate
CID 5110814
N-tert-butyl-1-(2,4-dimethylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3881945
3-(2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 3925006
N-tert-butyl-3-(4-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 42758673
ethyl 1-[3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazole-5-carbonyl]piperidine-3-carboxylate
CID 3951552
3-(2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
CID 42758958

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazole-5-carboxamide?
The IUPAC name of N-tert-butyl-3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazole-5-carboxamide (CID 4303586) is N-tert-butyl-3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-tert-butyl-3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazole-5-carboxamide?
The canonical SMILES for N-tert-butyl-3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NC(C)(C)C)n(-c3ccc(C)cc3C)n2)c(OC)c1.
What is the InChIKey of N-tert-butyl-3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazole-5-carboxamide?
The InChIKey is NVLVVPGPAHBUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-15-8-11-20(16(2)12-15)27-21(23(28)25-24(3,4)5)14-19(26-27)18-10-9-17(29-6)13-22(18)30-7/h8-14H,1-7H3,(H,25,28).
What are the key properties of N-tert-butyl-3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazole-5-carboxamide?
N-tert-butyl-3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazole-5-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4303586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).