5-amino-1-tert-butyl-N-(4-chlorophenyl)pyrazole-4-carboxamide

C14H17ClN4O — CID 166238811

IUPAC5-amino-1-tert-butyl-N-(4-chlorophenyl)pyrazole-4-carboxamide
SMILESCC(C)(C)n1ncc(C(=O)Nc2ccc(Cl)cc2)c1N
InChIInChI=1S/C14H17ClN4O/c1-14(2,3)19-12(16)11(8-17-19)13(20)18-10-6-4-9(15)5-7-10/h4-8H,16H2,1-3H3,(H,18,20)
InChIKeyFJVAPBMSVUAUPT-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.13
Rot. Bonds2

About 5-amino-1-tert-butyl-N-(4-chlorophenyl)pyrazole-4-carboxamide

5-amino-1-tert-butyl-N-(4-chlorophenyl)pyrazole-4-carboxamide (PubChem CID 166238811) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 5-amino-1-tert-butyl-N-(4-chlorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-tert-butyl-N-(4-chlorophenyl)pyrazole-4-carboxamide
PubChem CID166238811
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name5-amino-1-tert-butyl-N-(4-chlorophenyl)pyrazole-4-carboxamide
SMILESCC(C)(C)n1ncc(C(=O)Nc2ccc(Cl)cc2)c1N
InChIInChI=1S/C14H17ClN4O/c1-14(2,3)19-12(16)11(8-17-19)13(20)18-10-6-4-9(15)5-7-10/h4-8H,16H2,1-3H3,(H,18,20)
InChIKeyFJVAPBMSVUAUPT-UHFFFAOYSA-N
XLogP3.13
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 122640535
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CID 176657421
5-amino-N-(4-bromophenyl)-1-methylpyrazole-4-carboxamide
CID 80504044
2-amino-5-chloro-N-(4-chlorophenyl)benzamide
CID 4186019
1-tert-butyl-5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide
CID 46486951
N-(4-acetamidophenyl)-5-chloro-1-methylpyrazole-4-carboxamide
CID 75538051
5-amino-N-(4-chlorophenyl)-1-methylimidazole-4-carboxamide
CID 59141435
4-amino-N-(4-chlorophenyl)-1-ethylpyrazole-5-carboxamide
CID 65357708
sodium 4-chloro-2-[(4-chlorophenyl)carbamoyl]phenolate
CID 102504156
N-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 2807979
3-[4-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120541354
methyl N-[4-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]carbamate
CID 55804670

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-tert-butyl-N-(4-chlorophenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-tert-butyl-N-(4-chlorophenyl)pyrazole-4-carboxamide (CID 166238811) is 5-amino-1-tert-butyl-N-(4-chlorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-tert-butyl-N-(4-chlorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-tert-butyl-N-(4-chlorophenyl)pyrazole-4-carboxamide is CC(C)(C)n1ncc(C(=O)Nc2ccc(Cl)cc2)c1N.
What is the InChIKey of 5-amino-1-tert-butyl-N-(4-chlorophenyl)pyrazole-4-carboxamide?
The InChIKey is FJVAPBMSVUAUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-14(2,3)19-12(16)11(8-17-19)13(20)18-10-6-4-9(15)5-7-10/h4-8H,16H2,1-3H3,(H,18,20).
What are the key properties of 5-amino-1-tert-butyl-N-(4-chlorophenyl)pyrazole-4-carboxamide?
5-amino-1-tert-butyl-N-(4-chlorophenyl)pyrazole-4-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 3.13, 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-N-(4-chlorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 166238811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).