N-(2-amino-2-methylpropyl)-1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxamide

C18H25ClN4O — CID 119626136

IUPACN-(2-amino-2-methylpropyl)-1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxamide
SMILESCC(C)(N)CNC(=O)c1cn(C(C)(C)C)nc1-c1ccccc1Cl
InChIInChI=1S/C18H25ClN4O/c1-17(2,3)23-10-13(16(24)21-11-18(4,5)20)15(22-23)12-8-6-7-9-14(12)19/h6-10H,11,20H2,1-5H3,(H,21,24)
InChIKeyDOTCGYIVHJTREY-UHFFFAOYSA-N
MW348.88 g/mol
LogP3.43
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxamide

N-(2-amino-2-methylpropyl)-1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxamide (PubChem CID 119626136) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxamide
PubChem CID119626136
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC NameN-(2-amino-2-methylpropyl)-1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxamide
SMILESCC(C)(N)CNC(=O)c1cn(C(C)(C)C)nc1-c1ccccc1Cl
InChIInChI=1S/C18H25ClN4O/c1-17(2,3)23-10-13(16(24)21-11-18(4,5)20)15(22-23)12-8-6-7-9-14(12)19/h6-10H,11,20H2,1-5H3,(H,21,24)
InChIKeyDOTCGYIVHJTREY-UHFFFAOYSA-N
XLogP3.43
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxamide (CID 119626136) is N-(2-amino-2-methylpropyl)-1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxamide is CC(C)(N)CNC(=O)c1cn(C(C)(C)C)nc1-c1ccccc1Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxamide?
The InChIKey is DOTCGYIVHJTREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O/c1-17(2,3)23-10-13(16(24)21-11-18(4,5)20)15(22-23)12-8-6-7-9-14(12)19/h6-10H,11,20H2,1-5H3,(H,21,24).
What are the key properties of N-(2-amino-2-methylpropyl)-1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxamide?
N-(2-amino-2-methylpropyl)-1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxamide has a molecular weight of 348.88 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 119626136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).