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

C15H20N4O — CID 155519511

IUPAC5-amino-1-tert-butyl-3-(3-methylphenyl)pyrazole-4-carboxamide
SMILESCc1cccc(-c2nn(C(C)(C)C)c(N)c2C(N)=O)c1
InChIInChI=1S/C15H20N4O/c1-9-6-5-7-10(8-9)12-11(14(17)20)13(16)19(18-12)15(2,3)4/h5-8H,16H2,1-4H3,(H2,17,20)
InChIKeyHCBKSVQVKSTGLE-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.29
Rot. Bonds2

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

5-amino-1-tert-butyl-3-(3-methylphenyl)pyrazole-4-carboxamide (PubChem CID 155519511) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-amino-1-tert-butyl-3-(3-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-tert-butyl-3-(3-methylphenyl)pyrazole-4-carboxamide
PubChem CID155519511
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-amino-1-tert-butyl-3-(3-methylphenyl)pyrazole-4-carboxamide
SMILESCc1cccc(-c2nn(C(C)(C)C)c(N)c2C(N)=O)c1
InChIInChI=1S/C15H20N4O/c1-9-6-5-7-10(8-9)12-11(14(17)20)13(16)19(18-12)15(2,3)4/h5-8H,16H2,1-4H3,(H2,17,20)
InChIKeyHCBKSVQVKSTGLE-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-tert-butyl-3-(3-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-tert-butyl-3-(3-methylphenyl)pyrazole-4-carboxamide (CID 155519511) is 5-amino-1-tert-butyl-3-(3-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-tert-butyl-3-(3-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-tert-butyl-3-(3-methylphenyl)pyrazole-4-carboxamide is Cc1cccc(-c2nn(C(C)(C)C)c(N)c2C(N)=O)c1.
What is the InChIKey of 5-amino-1-tert-butyl-3-(3-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is HCBKSVQVKSTGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-9-6-5-7-10(8-9)12-11(14(17)20)13(16)19(18-12)15(2,3)4/h5-8H,16H2,1-4H3,(H2,17,20).
What are the key properties of 5-amino-1-tert-butyl-3-(3-methylphenyl)pyrazole-4-carboxamide?
5-amino-1-tert-butyl-3-(3-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-tert-butyl-3-(3-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 155519511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).