3-tert-butyl-N-(3,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide

C17H23N3O3 — CID 10734263

IUPAC3-tert-butyl-N-(3,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C(C)(C)C)nn2C)cc1OC
InChIInChI=1S/C17H23N3O3/c1-17(2,3)15-10-12(20(4)19-15)16(21)18-11-7-8-13(22-5)14(9-11)23-6/h7-10H,1-6H3,(H,18,21)
InChIKeyYHBVKJGFADFRAI-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.99
Rot. Bonds4

About 3-tert-butyl-N-(3,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide

3-tert-butyl-N-(3,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 10734263) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-tert-butyl-N-(3,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-(3,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
PubChem CID10734263
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name3-tert-butyl-N-(3,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C(C)(C)C)nn2C)cc1OC
InChIInChI=1S/C17H23N3O3/c1-17(2,3)15-10-12(20(4)19-15)16(21)18-11-7-8-13(22-5)14(9-11)23-6/h7-10H,1-6H3,(H,18,21)
InChIKeyYHBVKJGFADFRAI-UHFFFAOYSA-N
XLogP2.99
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-tert-butyl-N-(3,4-dimethoxyphenyl)-1-methylpyrazole-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-tert-butyl-1-methyl-N-naphthalen-2-ylpyrazole-5-carboxamide
CID 78893081
N-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 36763541
N-(3,4-dimethoxyphenyl)-1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 5299210
N-(6-amino-3-pyridinyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide
CID 119516235
3-tert-butyl-N-(2-chloro-4-fluoro-5-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 10807033
N-(3,4-dimethoxyphenyl)-2-methyltriazole-4-carboxamide
CID 110691494
2-[[2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224356
N-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285321
N-(3-butanoylphenyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide
CID 10520273
2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-(4-methylphenyl)-2-oxoacetamide
CID 174498929
3-tert-butyl-1-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrazole-5-carboxamide
CID 78898253
N-(3-amino-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120952

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(3,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-tert-butyl-N-(3,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide (CID 10734263) is 3-tert-butyl-N-(3,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-(3,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-tert-butyl-N-(3,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide is COc1ccc(NC(=O)c2cc(C(C)(C)C)nn2C)cc1OC.
What is the InChIKey of 3-tert-butyl-N-(3,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is YHBVKJGFADFRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-17(2,3)15-10-12(20(4)19-15)16(21)18-11-7-8-13(22-5)14(9-11)23-6/h7-10H,1-6H3,(H,18,21).
What are the key properties of 3-tert-butyl-N-(3,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide?
3-tert-butyl-N-(3,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(3,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 10734263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).