5-tert-butyl-1-(4-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide

C18H24ClN3O2 — CID 162667222

IUPAC5-tert-butyl-1-(4-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide
SMILESCC(C)(CO)NC(=O)c1cc(C(C)(C)C)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H24ClN3O2/c1-17(2,3)15-10-14(16(24)20-18(4,5)11-23)21-22(15)13-8-6-12(19)7-9-13/h6-10,23H,11H2,1-5H3,(H,20,24)
InChIKeyRKIVWBWZMAJYSC-UHFFFAOYSA-N
MW349.86 g/mol
LogP3.32
Rot. Bonds4

About 5-tert-butyl-1-(4-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide

5-tert-butyl-1-(4-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide (PubChem CID 162667222) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is 5-tert-butyl-1-(4-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-1-(4-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide
PubChem CID162667222
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name5-tert-butyl-1-(4-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide
SMILESCC(C)(CO)NC(=O)c1cc(C(C)(C)C)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H24ClN3O2/c1-17(2,3)15-10-14(16(24)20-18(4,5)11-23)21-22(15)13-8-6-12(19)7-9-13/h6-10,23H,11H2,1-5H3,(H,20,24)
InChIKeyRKIVWBWZMAJYSC-UHFFFAOYSA-N
XLogP3.32
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-(4-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-1-(4-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide (CID 162667222) is 5-tert-butyl-1-(4-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-1-(4-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-1-(4-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide is CC(C)(CO)NC(=O)c1cc(C(C)(C)C)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 5-tert-butyl-1-(4-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide?
The InChIKey is RKIVWBWZMAJYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-17(2,3)15-10-14(16(24)20-18(4,5)11-23)21-22(15)13-8-6-12(19)7-9-13/h6-10,23H,11H2,1-5H3,(H,20,24).
What are the key properties of 5-tert-butyl-1-(4-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide?
5-tert-butyl-1-(4-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide has a molecular weight of 349.86 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-(4-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 162667222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).