N-(2-tert-butylphenyl)-1,5-dimethylpyrazole-3-carboxamide

C16H21N3O — CID 110858370

IUPACN-(2-tert-butylphenyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2C(C)(C)C)nn1C
InChIInChI=1S/C16H21N3O/c1-11-10-14(18-19(11)5)15(20)17-13-9-7-6-8-12(13)16(2,3)4/h6-10H,1-5H3,(H,17,20)
InChIKeyJRFILMJNMRCYNR-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.28
Rot. Bonds2

About N-(2-tert-butylphenyl)-1,5-dimethylpyrazole-3-carboxamide

N-(2-tert-butylphenyl)-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 110858370) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-1,5-dimethylpyrazole-3-carboxamide
PubChem CID110858370
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(2-tert-butylphenyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2C(C)(C)C)nn1C
InChIInChI=1S/C16H21N3O/c1-11-10-14(18-19(11)5)15(20)17-13-9-7-6-8-12(13)16(2,3)4/h6-10H,1-5H3,(H,17,20)
InChIKeyJRFILMJNMRCYNR-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

3-N,5-N-bis(2-tert-butylphenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097819
1,5-dimethyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110685790
N-(2-benzylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 35324488
1-methyl-5-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 110299441
1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 35762734
4-[(1,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid
CID 113263077
N-(2-tert-butylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide
CID 110681047
1-(1,5-dimethylpyrazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 108813241
1-methyl-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 42161810
1,5-dimethyl-N-[2-(naphthalen-1-ylcarbamoylamino)ethyl]pyrazole-3-carboxamide
CID 17025902
1,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxamide
CID 78904439
N-(2-tert-butylphenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32951263

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-1,5-dimethylpyrazole-3-carboxamide (CID 110858370) is N-(2-tert-butylphenyl)-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccccc2C(C)(C)C)nn1C.
What is the InChIKey of N-(2-tert-butylphenyl)-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is JRFILMJNMRCYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-10-14(18-19(11)5)15(20)17-13-9-7-6-8-12(13)16(2,3)4/h6-10H,1-5H3,(H,17,20).
What are the key properties of N-(2-tert-butylphenyl)-1,5-dimethylpyrazole-3-carboxamide?
N-(2-tert-butylphenyl)-1,5-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-(2-tert-butylphenyl)-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 110858370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).