5-amino-N-(4-tert-butylphenyl)-1H-pyrazole-4-carboxamide

C14H18N4O — CID 43337152

IUPAC5-amino-N-(4-tert-butylphenyl)-1H-pyrazole-4-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2cn[nH]c2N)cc1
InChIInChI=1S/C14H18N4O/c1-14(2,3)9-4-6-10(7-5-9)17-13(19)11-8-16-18-12(11)15/h4-8H,1-3H3,(H,17,19)(H3,15,16,18)
InChIKeyWHOSYPGFRPWGLC-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.54
Rot. Bonds2

About 5-amino-N-(4-tert-butylphenyl)-1H-pyrazole-4-carboxamide

5-amino-N-(4-tert-butylphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 43337152) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-amino-N-(4-tert-butylphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-tert-butylphenyl)-1H-pyrazole-4-carboxamide
PubChem CID43337152
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name5-amino-N-(4-tert-butylphenyl)-1H-pyrazole-4-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2cn[nH]c2N)cc1
InChIInChI=1S/C14H18N4O/c1-14(2,3)9-4-6-10(7-5-9)17-13(19)11-8-16-18-12(11)15/h4-8H,1-3H3,(H,17,19)(H3,15,16,18)
InChIKeyWHOSYPGFRPWGLC-UHFFFAOYSA-N
XLogP2.54
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-(4-iodophenyl)-1H-pyrazole-4-carboxamide
CID 43159637
5-amino-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide
CID 43337237
5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-carboxamide
CID 61168270
2-amino-N-(4-tert-butylphenyl)-5-methylbenzamide
CID 62059196
5-amino-N-(3-sulfamoylphenyl)-1H-pyrazole-4-carboxamide
CID 43337194
1-N,2-N,3-N-tris(4-tert-butylphenyl)benzene-1,2,3-tricarboxamide
CID 70017205
1-N,4-N-bis(4-tert-butylphenyl)naphthalene-1,4-dicarboxamide
CID 67816317
N-(4-tert-butylphenyl)-2-(methylamino)benzamide
CID 60706403
N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 60757361
4-amino-N-(4-tert-butylphenyl)-2-chlorobenzamide
CID 28748853
N-(4-tert-butylphenyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 23151044
5-amino-N-(2-hydroxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 110484171

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-tert-butylphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(4-tert-butylphenyl)-1H-pyrazole-4-carboxamide (CID 43337152) is 5-amino-N-(4-tert-butylphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(4-tert-butylphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(4-tert-butylphenyl)-1H-pyrazole-4-carboxamide is CC(C)(C)c1ccc(NC(=O)c2cn[nH]c2N)cc1.
What is the InChIKey of 5-amino-N-(4-tert-butylphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is WHOSYPGFRPWGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-14(2,3)9-4-6-10(7-5-9)17-13(19)11-8-16-18-12(11)15/h4-8H,1-3H3,(H,17,19)(H3,15,16,18).
What are the key properties of 5-amino-N-(4-tert-butylphenyl)-1H-pyrazole-4-carboxamide?
5-amino-N-(4-tert-butylphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.54, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-tert-butylphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43337152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).