5-amino-3-tert-butyl-1-(3-methylphenyl)pyrazole-4-carboxamide

C15H20N4O — CID 155528637

IUPAC5-amino-3-tert-butyl-1-(3-methylphenyl)pyrazole-4-carboxamide
SMILESCc1cccc(-n2nc(C(C)(C)C)c(C(N)=O)c2N)c1
InChIInChI=1S/C15H20N4O/c1-9-6-5-7-10(8-9)19-13(16)11(14(17)20)12(18-19)15(2,3)4/h5-8H,16H2,1-4H3,(H2,17,20)
InChIKeyXSQCPXIOILQSEW-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.16
Rot. Bonds2

About 5-amino-3-tert-butyl-1-(3-methylphenyl)pyrazole-4-carboxamide

5-amino-3-tert-butyl-1-(3-methylphenyl)pyrazole-4-carboxamide (PubChem CID 155528637) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-amino-3-tert-butyl-1-(3-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-tert-butyl-1-(3-methylphenyl)pyrazole-4-carboxamide
PubChem CID155528637
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-amino-3-tert-butyl-1-(3-methylphenyl)pyrazole-4-carboxamide
SMILESCc1cccc(-n2nc(C(C)(C)C)c(C(N)=O)c2N)c1
InChIInChI=1S/C15H20N4O/c1-9-6-5-7-10(8-9)19-13(16)11(14(17)20)12(18-19)15(2,3)4/h5-8H,16H2,1-4H3,(H2,17,20)
InChIKeyXSQCPXIOILQSEW-UHFFFAOYSA-N
XLogP2.16
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-3-tert-butyl-1-(1H-indazol-5-yl)pyrazole-4-carboxamide
CID 155543479
1,5-bis(3-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 13292301
4-(2,6-dichlorophenyl)-1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 100560803
methyl 5-amino-1-(3-methylphenyl)triazole-4-carboxylate
CID 4912897
5-amino-1-[4-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]imidazole-4-carboxamide
CID 15986665
5-amino-3-methoxy-1-phenylpyrazole-4-carboxamide
CID 16784714
1-(3-methylphenyl)-5-(4-nitrophenyl)-1,2,4-triazole-3-carboxamide
CID 13292324
ethyl 5-amino-1-(3-methylphenyl)pyrazole-3-carboxylate
CID 75357933
1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 53015687
5-methyl-1-(3-methylphenyl)pyrazole-3-carboxylic acid
CID 22831928
3-tert-butyl-5-chloro-1-(3,5-dimethylphenyl)pyrazole-4-carboxylic acid
CID 43542604
5-methyl-2-(3-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine
CID 83862460

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-tert-butyl-1-(3-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-tert-butyl-1-(3-methylphenyl)pyrazole-4-carboxamide (CID 155528637) is 5-amino-3-tert-butyl-1-(3-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-tert-butyl-1-(3-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-tert-butyl-1-(3-methylphenyl)pyrazole-4-carboxamide is Cc1cccc(-n2nc(C(C)(C)C)c(C(N)=O)c2N)c1.
What is the InChIKey of 5-amino-3-tert-butyl-1-(3-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is XSQCPXIOILQSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-9-6-5-7-10(8-9)19-13(16)11(14(17)20)12(18-19)15(2,3)4/h5-8H,16H2,1-4H3,(H2,17,20).
What are the key properties of 5-amino-3-tert-butyl-1-(3-methylphenyl)pyrazole-4-carboxamide?
5-amino-3-tert-butyl-1-(3-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-tert-butyl-1-(3-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 155528637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).