N-(4-tert-butylphenyl)-2,5-dimethylpyrazole-3-carboxamide

C16H21N3O — CID 110685894

IUPACN-(4-tert-butylphenyl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)n(C)n1
InChIInChI=1S/C16H21N3O/c1-11-10-14(19(5)18-11)15(20)17-13-8-6-12(7-9-13)16(2,3)4/h6-10H,1-5H3,(H,17,20)
InChIKeyHBFWPQXTDSDZTC-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.28
Rot. Bonds2

About N-(4-tert-butylphenyl)-2,5-dimethylpyrazole-3-carboxamide

N-(4-tert-butylphenyl)-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 110685894) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2,5-dimethylpyrazole-3-carboxamide
PubChem CID110685894
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(4-tert-butylphenyl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)n(C)n1
InChIInChI=1S/C16H21N3O/c1-11-10-14(19(5)18-11)15(20)17-13-8-6-12(7-9-13)16(2,3)4/h6-10H,1-5H3,(H,17,20)
InChIKeyHBFWPQXTDSDZTC-UHFFFAOYSA-N
XLogP3.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685886
N-[4-(bromomethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 114310907
4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride
CID 66128613
2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19481229
N-[4-(cyclopropylcarbamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87024230
4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 10038843
2,5-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrazole-3-carboxamide
CID 61069082
N-(6-fluoro-3-pyridinyl)-2,5-dimethylpyrazole-3-carboxamide
CID 103789986
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 66128409
N-(3-acetylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61059268
4-tert-butyl-N-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]benzamide
CID 3385279
4-[(2,5-dimethylpyrazole-3-carbonyl)amino]-2-fluorobenzoic acid
CID 103791549

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-2,5-dimethylpyrazole-3-carboxamide (CID 110685894) is N-(4-tert-butylphenyl)-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)n(C)n1.
What is the InChIKey of N-(4-tert-butylphenyl)-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is HBFWPQXTDSDZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-10-14(19(5)18-11)15(20)17-13-8-6-12(7-9-13)16(2,3)4/h6-10H,1-5H3,(H,17,20).
What are the key properties of N-(4-tert-butylphenyl)-2,5-dimethylpyrazole-3-carboxamide?
N-(4-tert-butylphenyl)-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 110685894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).